1OF0
CRYSTAL STRUCTURE OF BACILLUS SUBTILIS COTA AFTER 1H SOAKING WITH ABTS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2002-09-15 |
Detector | MARRESEARCH |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 102.278, 102.278, 136.247 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 100.000 - 2.450 |
R-factor | 0.197 |
Rwork | 0.197 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gsk |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.140 | 2.540 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.075 | 0.321 |
Number of reflections | 30797 | |
<I/σ(I)> | 5.9 | 1.95 |
Completeness [%] | 99.9 | 93.8 |
Redundancy | 5 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | pH 6.00 |