5ZLJ
Crystal structure of CotA native enzyme, PH8.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BSRF BEAMLINE 3W1A |
Synchrotron site | BSRF |
Beamline | 3W1A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-01 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 101.897, 101.897, 136.162 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.970 - 1.960 |
R-factor | 0.15511 |
Rwork | 0.154 |
R-free | 0.18380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gsk |
RMSD bond length | 0.014 |
RMSD bond angle | 1.553 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.030 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.074 | 0.234 |
Number of reflections | 58806 | |
<I/σ(I)> | 26.2 | 8.4 |
Completeness [%] | 99.2 | 97.9 |
Redundancy | 7.4 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 30-42%(v/v) ethylene glycol, 100mM NaCl, 25mM Tris-HCl |