8GSK

Crystal Structure of S302G single mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae at 2.2 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-09-04
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	I 41
Unit cell lengths	112.600, 112.600, 45.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.370 - 2.271
Rwork	0.223
R-free	0.26640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y7l
RMSD bond length	0.006
RMSD bond angle	1.565
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.370	2.352
High resolution limit [Å]	2.271	2.271
Number of reflections	12952	18871
<I/σ(I)>	44.88
Completeness [%]	96.0
Redundancy	14.4
CC(1/2)	0.788	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES, 1.3 M Sodium Citrate