4ZU6

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:  4MH9

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	2011-07-13
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	I 41
Unit cell lengths	112.634, 112.634, 43.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.030
R-factor	0.1906
Rwork	0.189
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ho1
RMSD bond length	0.008
RMSD bond angle	1.159
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]	35.500	2.200
High resolution limit [Å]	2.030	2.030
Rmerge	0.050	0.190
Number of reflections	17815
<I/σ(I)>	51	8.64
Completeness [%]	99.0	92
Redundancy	6.6	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M HEPES, 1.4M sodium citrate