4WIL

Crystal structure of DCoH2 S51T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-08-17
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.00
Spacegroup name	P 31 2 1
Unit cell lengths	57.729, 57.729, 115.064
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.997 - 1.360
R-factor	0.1587
Rwork	0.158
R-free	0.17460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ru0
RMSD bond length	0.006
RMSD bond angle	1.045
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.380
High resolution limit [Å]	1.360	1.360
Rmerge		0.953
Number of reflections	48837
<I/σ(I)>	58.1	2.98
Completeness [%]	97.8	96.4
Redundancy	10.7	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	291	0.1M Tris, 8% PEG 8,000 mixing 0.5 ul protein and 1 ul reservoir