3IQG

Structure of O-Acetylserine Sulfhydrylase in Complex with Peptide MNWNI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	130
Detector technology	IMAGE PLATE
Collection date	2009-05-29
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 41
Unit cell lengths	112.474, 112.474, 45.928
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.140 - 1.900
R-factor	0.16823
Rwork	0.166
R-free	0.20534
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y7l
RMSD bond length	0.015
RMSD bond angle	1.409
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.040	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.029	0.103
Number of reflections	22692
<I/σ(I)>	31.8	8.6
Completeness [%]	99.2	95.7
Redundancy	3.8	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	298	CAPS, Ammonium Sulfate, Lithium Sulfate, pH 10.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K