3HX8
Crystal structure of putative ketosteroid isomerase (NP_103587.1) from Mesorhizobium loti at 1.45 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-19 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91162,0.97929,0.97915 |
Spacegroup name | P 1 |
Unit cell lengths | 48.336, 55.111, 56.862 |
Unit cell angles | 69.02, 76.89, 64.83 |
Refinement procedure
Resolution | 28.028 - 1.450 |
R-factor | 0.149 |
Rwork | 0.147 |
R-free | 0.18600 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.524 |
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] | 28.028 | 28.028 | 1.500 |
High resolution limit [Å] | 1.450 | 3.120 | 1.450 |
Rmerge | 0.041 | 0.026 | 0.452 |
Number of reflections | 83844 | 17123 | 14948 |
<I/σ(I)> | 9.05 | 25.5 | 1.3 |
Completeness [%] | 94.5 | 96.6 | 87.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 30.0000% PEG-6000, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |