7C35

Crystal structure of M96A mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-12-15
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	I 41
Unit cell lengths	113.010, 113.010, 44.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.740 - 2.100
R-factor	0.1787
Rwork	0.177
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ho1
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.762	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.075	0.330
Rmeas	0.087	0.315
Number of reflections	16477	2379
<I/σ(I)>	10.1	3.01
Completeness [%]	99.5	100
Redundancy	3.9	3.7
CC(1/2)	0.997	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	291	100mM Hepes buffer pH 7.4, 1.4M sodium citrate