3GZR

CRYSTAL STRUCTURE OF AN UNCHARACTERIZED PROTEIN WITH A CYSTATIN-LIKE FOLD (CC_2572) FROM CAULOBACTER VIBRIOIDES AT 1.40 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-19
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 65
Unit cell lengths	71.825, 71.825, 121.395
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.682 - 1.400
R-factor	0.139
Rwork	0.138
R-free	0.15300
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.680
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.682	27.682	1.450
High resolution limit [Å]	1.400	3.010	1.400
Rmerge	0.039	0.026	0.595
Number of reflections	69112	13890	13310
<I/σ(I)>	18	62.7	1.5
Completeness [%]	98.7	99.7	96.6
Redundancy	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	1.6000M (NH4)2SO4, 0.1M Citrate pH 5.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K