4RZE

Crystal Structure Analysis of the NUR77 Ligand Binding Domain, L437W,D594E mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	74.266, 76.893, 128.518
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.380 - 2.490
R-factor	0.25283
Rwork	0.250
R-free	0.30895
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.829
Data reduction software	AUTOMAR
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.490
Number of reflections	25033
Completeness [%]	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.2	277	PEG4000, Sodium citrate, Glycerol, pH 4.2, VAPOR DIFFUSION, temperature 277K