4J4X

Crystal structure of GraVN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-13
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 1
Unit cell lengths	51.289, 96.337, 100.800
Unit cell angles	64.57, 81.72, 85.10

Refinement procedure

Resolution	49.590 - 2.510
R-factor	0.19888
Rwork	0.195
R-free	0.26641
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j4r
RMSD bond length	0.013
RMSD bond angle	1.599
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.640	2.540
High resolution limit [Å]	2.510	2.510
Number of reflections	54500
Completeness [%]	96.8	87.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.1M MgCl2, 21% PEG 1000, 0.1M imidazole, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K