2C1D
Crystal structure of SoxXA from P. pantotrophus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-02-26 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.860, 180.010, 117.930 |
| Unit cell angles | 90.00, 92.83, 90.00 |
Refinement procedure
| Resolution | 119.520 - 1.920 |
| R-factor | 0.161 |
| Rwork | 0.159 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h33 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.515 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.500 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | 0.150 |
| Number of reflections | 631082 | |
| <I/σ(I)> | 12.6 | 5.9 |
| Completeness [%] | 93.7 | 62.6 |
| Redundancy | 5.2 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.50 |
