5DBE

Crystal structure of O-acetylserine sulfhydrylase from Haemophilus influenzae in complex with pre-reactive O-acetyl serine, alpha-aminoacrylate reaction intermediate and peptide inhibitor at the resolution of 2.25A

Replaces:  4ZU8Replaces:  4MII

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	2011-07-15
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	I 41
Unit cell lengths	112.643, 112.643, 45.898
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.250
R-factor	0.1848
Rwork	0.182
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ho1
RMSD bond length	0.008
RMSD bond angle	1.174
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.350
High resolution limit [Å]	2.250	2.250
Rmerge	0.040	0.220
Number of reflections	13894
<I/σ(I)>	42.8	8.6
Completeness [%]	99.8	99.3
Redundancy	5.2	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		293	0.1M HEPES, 1.2M SODIUM CITRATE, VAPOR DIFFUSION, SITTING DROP