4ORE

Cyrstal structure of O-acetylserine sulfhydrylase ternary complex from Haemophilus influenzae at 2.2 A

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	2013-12-29
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	I 41
Unit cell lengths	112.220, 112.220, 46.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.676 - 2.200
R-factor	0.2259
Rwork	0.223
R-free	0.27860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ho1
RMSD bond length	0.007
RMSD bond angle	1.152
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall
Low resolution limit [Å]	39.676
High resolution limit [Å]	2.030
Rmerge	0.230
Number of reflections	22189
<I/σ(I)>	3.9
Completeness [%]	13.0
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	1.3M sodium Citrate, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, temperature 293K