6GRL

Structure of imine reductase (apo form) at 1.6 A resolution from Saccharomonospora xinjiangensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97242
Spacegroup name	C 1 2 1
Unit cell lengths	141.184, 35.774, 53.050
Unit cell angles	90.00, 91.94, 90.00

Refinement procedure

Resolution	41.712 - 1.600
R-factor	0.1942
Rwork	0.193
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zgy
RMSD bond length	0.002
RMSD bond angle	0.466
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.090	1.647
High resolution limit [Å]	1.600	1.600
Rmerge	0.033
Rmeas	0.039
Rpim	0.020
Number of reflections	33393
<I/σ(I)>	26.09
Completeness [%]	94.2
Redundancy	3.6
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	0.2 M imidazole malate 7.0 and 25 % PEG w/v 4000