1XTL
Crystal structure of P104H mutant of SOD-like protein from Bacillus subtilis.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-01-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.37110 |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.147, 56.586, 59.118 |
| Unit cell angles | 78.24, 89.91, 85.47 |
Refinement procedure
| Resolution | 38.920 - 2.000 |
| R-factor | 0.23739 |
| Rwork | 0.232 |
| R-free | 0.29919 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s4i |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.725 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.958 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.067 | 0.244 |
| Number of reflections | 41966 | |
| <I/σ(I)> | 6.9 | 2.5 |
| Completeness [%] | 94.2 | 92.2 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 0.1M Na Acetate, 20% PEG4000, 0.1M Ammonium Sulphate, 10mM ZnCl2, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
