5XCW

Crystal structure of M92A-M120A double 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	2013-12-14
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	I 41
Unit cell lengths	112.546, 112.546, 46.345
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.590 - 1.890
R-factor	0.1572
Rwork	0.155
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ho1
RMSD bond length	0.006
RMSD bond angle	0.817
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	1.950
High resolution limit [Å]	1.890	1.890
Rmerge	0.066	0.390
Number of reflections	23438	2301
<I/σ(I)>	28.3	3.7
Completeness [%]	100.0	99.1
Redundancy	5.3	4.1
CC(1/2)	0.990	0.990

Crystallization Conditions

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