4LI3

Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus influenzae in complex with high affinity inhibitory peptide from Serine acetyl transferase of Salmonella typhimurium

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	2012-06-15
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	I 41
Unit cell lengths	112.655, 112.655, 46.535
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.010 - 2.592
R-factor	0.1999
Rwork	0.197
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y7l
RMSD bond length	0.003
RMSD bond angle	0.760
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	43.100
High resolution limit [Å]	2.590
Number of reflections	8700
<I/σ(I)>	19
Completeness [%]	97.0
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	1.4M sodium Citrate, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, temperature 293K