4RZG

Crystal Structure Analysis of the DNPA-bounded NUR77 Ligand binding Domain

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	2013-03-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	74.228, 76.529, 128.677
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.300 - 2.700
R-factor	0.2146
Rwork	0.212
R-free	0.26960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.698
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.700
Number of reflections	19120
Completeness [%]	97.1

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