2O0P

X-ray Crystal Structure of Protein CC0527 (V27M / L66M double mutant) from Caulobacter crescentus. Northeast Structural Genomics Consortium Target CcR55.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X3A
Synchrotron site	NSLS
Beamline	X3A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.978
Spacegroup name	C 2 2 2
Unit cell lengths	84.864, 103.773, 46.097
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.850 - 1.900
R-factor	0.234
Rwork	0.234
R-free	0.24500
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.085	0.394
Number of reflections	31207
<I/σ(I)>	10.4	9.04
Completeness [%]	99.8	100
Redundancy	4.7	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	0.2M Sodium acetate, 0.1M Sodium Citrate, PGE 4000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	0.2M Sodium acetate, 0.1M Sodium Citrate, PGE 4000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K