1XTM
Crystal structure of the double mutant Y88H-P104H of a 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 | 2004-05-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.27680 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 52.462, 104.350, 58.756 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.600 - 1.600 |
| R-factor | 0.25381 |
| Rwork | 0.253 |
| R-free | 0.26628 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s4i |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.802 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.800 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.057 | 0.478 |
| Number of reflections | 43173 | |
| <I/σ(I)> | 9.1 | 1.6 |
| Completeness [%] | 99.6 | 99.2 |
| Redundancy | 7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 0.1M Na Acetate, 30% PEG4000, 0.2M Ammonium Sulphate, 1mM ZnCl2, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
