2QEE
Crystal structure of putative amidohydrolase BH0493 from Bacillus halodurans C-125
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 | 2007-02-08 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97900 |
| Spacegroup name | P 1 |
| Unit cell lengths | 121.995, 122.208, 127.582 |
| Unit cell angles | 78.85, 78.95, 80.92 |
Refinement procedure
| Resolution | 19.990 - 1.650 |
| R-factor | 0.189 |
| Rwork | 0.187 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q08 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.604 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
| Rmerge | 0.044 | 0.026 | 0.384 |
| Number of reflections | 759838 | ||
| <I/σ(I)> | 12.6 | ||
| Completeness [%] | 88.5 | 97.1 | 49.1 |
| Redundancy | 2.1 | 2.4 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 0.1M Bis-Tris pH 6.5, 45% PPG P 400 (INDEX E10), VAPOR DIFFUSION, SITTING DROP, temperature 294K |
