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 |