4NU8

Crystal structure of O-acetylserine sulfhydrylase from Haemophilus influenzae in complex with high affinity inhibitory peptide from serine acetyl transferase of Salmonella typhimurium at 2.0 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	2012-08-12
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	I 41
Unit cell lengths	112.322, 112.322, 45.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.519 - 2.070
R-factor	0.189
Rwork	0.187
R-free	0.23550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ho1
RMSD bond length	0.007
RMSD bond angle	1.048
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall
Low resolution limit [Å]	35.618
High resolution limit [Å]	2.030
Number of reflections	17594
<I/σ(I)>	54.7
Completeness [%]	90.0
Redundancy	5.7

Crystallization Conditions

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