5XCP

Crystal structure of M92A 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	2016-07-20
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.514
Spacegroup name	I 41
Unit cell lengths	112.390, 112.390, 45.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.000 - 2.043
R-factor	0.1525
Rwork	0.151
R-free	0.16830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ho1
RMSD bond length	0.008
RMSD bond angle	1.179
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.800	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.048	0.084
Number of reflections	18182	2308
<I/σ(I)>	34	8.7
Completeness [%]	97.0	85.4
Redundancy	7.9	7.4
CC(1/2)	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	291	100mM Hepes buffer pH7.4, 1.4M sodium citrate