Role of the highly conserved G68 residue in the yeast phosphorelay protein Ypd1: implications for interactions between histidine phosphotransfer (HPt) and response regulator proteins

Table 4 Data collection and Refinement Statistics for Ypd1-G68Q

Data Collection
Space group	P3₁21
Unit cell dimensions (Å, °)	a = b = 76.7, c = 66.7 and α = β = 90, γ = 120
Resolution range (Å)	38.36–1.98 (2.051–1.98)^a
Total number of reflections	100,588
Number of unique reflections	15,936 (1400)
Average redundancy
% completeness	97 (72)
R_merge (%)^b	0.051
CC_1/2^c	0.879
Mean I/σI	31 (1.95)
Refinement Statistics
Resolution Range (Å)	38.36–1.98 (2.051–1.98)
R_work (%)^d	17.8
R_free (%)^e	20.7
Average B-factor (Å²)	23.73
# of Protein Atoms	1363
# of Waters	166
RMSD bond length (Å)	0.010
RMSD angles (°)	1.0
Ramachandran plot (%)
Most favored	98.78
Additionally allowed	1.2
Disallowed	0

^aValues in () are for the highest resolution shell
^bR_merge = Σ(I - 〈I〉)I/Σ(I), where I is the intensity measurement of a given reflection and 〈I〉 is the average intensity for multiple measurements of this reflection
^cHalf-set correlation coefficient CC1/2 as defined in Karplus and Diederichs [78]
^dR_work = Σ||F_o| - |F_c|| / Σ|F_o|, where F_o and F_c are the observed and calculated structure factors respectively
^eR_free was calculated with 5% of the diffraction data that were selected randomly and not used throughout refinement

ISSN: 1471-2091