3CZB

Crystal structure of putative transglycosylase from Caulobacter crescentus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-01
Detector	MAR CCD 165 mm
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	129.604, 129.604, 88.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.430 - 2.500
R-factor	0.202
Rwork	0.199
R-free	0.25000
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.403
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	HKL2Map
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.108	0.070	0.815
Number of reflections	30161
<I/σ(I)>	6.2
Completeness [%]	99.9	99.2	100
Redundancy	22.5	20.8	22.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M Hepes pH 7.5, 4% 2,2,2-Trifluoroethanol, 1.6M Lithium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M Hepes pH 7.5, 4% 2,2,2-Trifluoroethanol, 1.6M Lithium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K