6GSD

Plantago Major multifunctional oxidoreductase in complex with progesterone and NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873
Spacegroup name	P 43 21 2
Unit cell lengths	78.839, 78.839, 134.809
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.419 - 2.700
R-factor	0.2082
Rwork	0.205
R-free	0.26570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v6f
RMSD bond length	0.026
RMSD bond angle	1.360
Data reduction software	XDS (June 1 2017)
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.000	2.650
High resolution limit [Å]	2.590	2.590
Rmeas	0.092
Number of reflections	13258
<I/σ(I)>	14.3	1
Completeness [%]	95.0
Redundancy	7.6
CC(1/2)	0.910	0.270

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Bis Tris Propane, 5% glycerol, and 16.5% to 19% Peg 5K MME