5MLM

Plantago Major multifunctional oxidoreductase V150M mutant 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	2014-02-23
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.87260
Spacegroup name	P 43 21 2
Unit cell lengths	78.288, 78.288, 135.869
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.914 - 2.563
R-factor	0.1816
Rwork	0.177
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v6f
RMSD bond length	0.008
RMSD bond angle	1.006
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.650
High resolution limit [Å]	2.560	5.510	2.560
Rmerge	0.080	0.025	0.817
Number of reflections	25539
<I/σ(I)>	14.91	42.7	1.47
Completeness [%]	96.7	99.4	71.5
Redundancy	4.4	4.3	2.93
CC(1/2)	0.998	0.999	0.695

Crystallization Conditions

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