6EL3

Structure of Progesterone 5beta-Reductase from Arabidopsis thaliana in complex with NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918
Spacegroup name	P 21 21 21
Unit cell lengths	92.460, 94.860, 313.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.896 - 1.899
R-factor	0.168
Rwork	0.168
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v6g
RMSD bond length	0.008
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.430	2.010
High resolution limit [Å]	1.899	1.899
Rmeas	0.169	0.930
Number of reflections	217162	34610
<I/σ(I)>	9.35
Completeness [%]	99.8	99.4
Redundancy	6.8	6.9
CC(1/2)	0.996	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	293	1.4 M sodium potassium phosphate