2QJW
CRYSTAL STRUCTURE OF A PUTATIVE HYDROLASE OF THE ALPHA/BETA SUPERFAMILY (XCC1541) FROM XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS AT 1.35 A RESOLUTION
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-03 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837, 0.97920 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.800, 60.640, 74.720 |
Unit cell angles | 90.00, 94.57, 90.00 |
Refinement procedure
Resolution | 29.775 - 1.350 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.21600 |
Structure solution method | MAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.767 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.775 | 29.775 | 1.400 |
High resolution limit [Å] | 1.350 | 2.910 | 1.350 |
Rmerge | 0.042 | 0.015 | 0.508 |
Number of reflections | 140150 | 27217 | 26866 |
<I/σ(I)> | 10.76 | 40.8 | 1.5 |
Completeness [%] | 97.4 | 98.6 | 93.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | NANODROP, 0.264M Di-ammonium tartrate, 15.8% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |