4GKF

Crystal structure and characterization of Cmr5 protein from Pyrococcus furiosus

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	2011-05-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9762
Spacegroup name	P 43 21 2
Unit cell lengths	53.944, 53.944, 235.987
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.060 - 2.100
R-factor	0.2173
Rwork	0.217
R-free	0.27580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oeb
RMSD bond length	0.006
RMSD bond angle	1.074
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.100	2.100
Number of reflections	23080
Completeness [%]	93.2	91

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	20 %(w/v) Polyethylene Glycol 3350, 0.1M Bis-Tris HCl, 0.2M Magnesium Chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K