6AIF

Crystal structure of M120A mutant 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	2017-10-15
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 41
Unit cell lengths	112.160, 112.160, 43.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.468 - 2.300
R-factor	0.1635
Rwork	0.161
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ho1
RMSD bond length	0.008
RMSD bond angle	0.871
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.470	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.069	0.241
Rmeas	0.073	0.255
Number of reflections	12233	1210
<I/σ(I)>	25	9.4
Completeness [%]	100.0	100
Redundancy	9.7	9.6
CC(1/2)	0.999	0.977

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.7	291.1	0.1M HEPES pH 7.7, 1.4M Sodium Citrate