7YOM

Crystal structure of tetra mutant (D67E,A68P,L98I,A301S) of O-acetylserine sulfhydrylase from Salmonella typhimurium in complex with high-affinity inhibitory peptide from serine acetyltransferase of Salmonella typhimurium at 2.8 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-05-08
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	I 41
Unit cell lengths	113.140, 113.140, 43.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.831 - 2.800
Rwork	0.216
R-free	0.27230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y7l
RMSD bond length	0.007
RMSD bond angle	1.515
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.831	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.691
Number of reflections	69653	691
<I/σ(I)>	42.47
Completeness [%]	97.7	100
Redundancy	10.1
CC(1/2)	0.713	0.634

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	278	0.1M HEPES, 1.3M Sodium citrate