4W9R

Crystal structure of uncharacterised protein Coch_1243 from Capnocytophaga ochracea DSM 7271

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97921
Spacegroup name	P 61
Unit cell lengths	145.229, 145.229, 138.391
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.309 - 2.703
R-factor	0.185
Rwork	0.184
R-free	0.21110
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.692
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.8.3_1479))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.105	0.037
Rmeas	0.110	0.039
Rpim	0.038	0.012	0.427
Total number of observations	501033
Number of reflections	45202
<I/σ(I)>	7.1		2.1
Completeness [%]	100.0	99.6	100
Redundancy	11.1	11.1	10.7
CC(1/2)		0.998	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.17M Sodium Acetate, 0.085M Tris-Cl, 25.5% PEG4000, 15% glycerol