5NCI

GriE in complex with cobalt, alpha-ketoglutarate and l-leucine

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	148.720, 56.061, 73.534
Unit cell angles	90.00, 111.95, 90.00

Refinement procedure

Resolution	68.968 - 1.755
R-factor	0.1412
Rwork	0.140
R-free	0.16930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nch
RMSD bond length	0.011
RMSD bond angle	1.038
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]	68.968	1.785
High resolution limit [Å]	1.755	1.755
Rmerge	0.094	0.852
Rpim	0.039	0.342
Number of reflections	55874	2782
<I/σ(I)>	14	2.2
Completeness [%]	99.1	98.1
Redundancy	6.9	7.1
CC(1/2)	0.998	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	293	24.8 % PEG 4000, 16.1 % PEG 200 and 0.1 M HEPES/NaOH pH 7.3 Co-crystallization with: 10 mM L-leucine, 10 mM alpha-ketoglutarate, 10 mM DTT, 1 mM CoCl2, 2 mM Na-ascorbate.