4NEZ

Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR276

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-28
Detector	MAR CCD 165 mm
Wavelength(s)	0.97924
Spacegroup name	C 2 2 21
Unit cell lengths	51.834, 71.073, 109.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.566 - 2.395
R-factor	0.2209
Rwork	0.218
R-free	0.24280
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.487
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8.2_1309)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.480
High resolution limit [Å]	2.390	2.390
Rmerge	0.076	0.516
Number of reflections	8240
Completeness [%]	99.0	96.9
Redundancy	13.9	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	277	Protein solution - 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), Reservoir solution - 25% PEG 3350, 0.1 M Hepes pH 7.4, 5% w/v Tetrabutylphosphonium bromide, VAPOR DIFFUSION, HANGING DROP, temperature 277K