5XOQ

Crystal structure of O-Acetylserine Sulfhydrylase with bound Transcription Factor peptide inhibitor from Planctomyces limnophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-05-19
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 2 21 21
Unit cell lengths	55.041, 99.686, 125.884
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.216 - 1.870
R-factor	0.1642
Rwork	0.162
R-free	0.19950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xa2
RMSD bond length	0.007
RMSD bond angle	0.822
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.220	1.900
High resolution limit [Å]	1.870	1.870
Rmerge	0.055	0.202
Number of reflections	54061	2483
<I/σ(I)>	15.6	4.61
Completeness [%]	93.0	86.2
Redundancy	1.1	4
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291.15	20% PEG 8000, 100mM Tris pH8.5, 200mM MgCl2