5NCJ

GriE in complex with manganese, succinate and (2S,4R)-5-hydroxyleucine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-10
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00003
Spacegroup name	C 1 2 1
Unit cell lengths	148.740, 56.061, 73.802
Unit cell angles	90.00, 112.46, 90.00

Refinement procedure

Resolution	51.910 - 1.529
R-factor	0.1563
Rwork	0.155
R-free	0.17340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nch
RMSD bond length	0.007
RMSD bond angle	0.923
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_2689)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.727	1.555
High resolution limit [Å]	1.529	1.529
Rmerge	0.093	0.867
Rpim	0.038	0.362
Number of reflections	80188	4262
<I/σ(I)>	11	2.1
Completeness [%]	94.2	99.5
Redundancy	6.7	6.6
CC(1/2)	0.995	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	MORPHEUS (Molecular Dimensions) condition F1: 0.12 M Monosaccharides, 0.1 M Buffer System 1 pH 6.5, 50 % v/v Precipitant Mix 1 co-crystallization with: 10 mM L-leucine, 10 mM alpha-ketoglutarate, 10 mM DTT, 125.5 mM Tris/HCl and 1 mM 1 mM MnCl2 and 2 mM Na-ascorbate.