1W6L
3D structure of CotA incubated with CuCl2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 102.066, 102.066, 137.975 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.280 - 2.000 |
R-factor | 0.149 |
Rwork | 0.148 |
R-free | 0.17300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gsk |
RMSD bond length | 0.015 |
RMSD bond angle | 1.461 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.000 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.060 | 0.340 |
Number of reflections | 56356 | |
<I/σ(I)> | 9.76 | 1.91 |
Completeness [%] | 99.4 | 96 |
Redundancy | 5.49 | 5.35 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | pH 5.50 |