5KP4

Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI) bound to 19-nortestosterone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	33.851, 72.587, 94.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.294 - 1.706
R-factor	0.205
Rwork	0.203
R-free	0.23900
RMSD bond length	0.006
RMSD bond angle	0.851
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	36.294
High resolution limit [Å]	1.706
Rmerge	0.092
Number of reflections	26203
<I/σ(I)>	9.6
Completeness [%]	99.8
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	298	1.1-1.4M ammonium sulfate, 40mM potassium phosphate, 3-6% isopropanol