7RXF

Multi-conformer model of Apo Ketosteroid Isomerase Y57F mutant from Pseudomonas Putida (pKSI) at 250 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	250
Detector technology	PIXEL
Collection date	2016-11-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.88557
Spacegroup name	P 21 21 21
Unit cell lengths	35.993, 74.139, 95.641
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.380 - 1.160
R-factor	0.1529
Rwork	0.152
R-free	0.17090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6u1z
RMSD bond length	0.009
RMSD bond angle	1.019
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.990	1.180
High resolution limit [Å]	1.160	1.160
Rmerge	0.094	2.851
Rpim	0.039	1.192
Number of reflections	88770	4193
<I/σ(I)>	7.7	0.6
Completeness [%]	99.5	97.8
Redundancy	6.5	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	298	17-23% PEG 3350, 0.2 M MAGNESIUM CHLORIDE