3CT8
Crystal structure of a putative glyoxalase (NP_243026.1) from Bacillus halodurans at 2.10 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 | 2008-02-04 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.92522, 0.97922, 0.97464 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 51.380, 51.380, 116.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.528 - 2.100 |
R-factor | 0.217 |
Rwork | 0.216 |
R-free | 0.24600 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.918 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 26.528 | 26.528 | 2.160 |
High resolution limit [Å] | 2.090 | 4.490 | 2.090 |
Rmerge | 0.052 | 0.023 | 0.902 |
Number of reflections | 9659 | 1793 | 1296 |
<I/σ(I)> | 15.3 | 45 | 1.6 |
Completeness [%] | 97.6 | 98.8 | 77.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | NANODROP, 40.0% MPD, 5.0% PEG 8000, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |