2VAX
Crystal structure of deacetylcephalosporin C acetyltransferase (Cephalosporin C-soak)
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 |
Collection date | 2007-03-09 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 121.357, 109.288, 195.388 |
Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
Resolution | 62.750 - 2.600 |
R-factor | 0.212 |
Rwork | 0.211 |
R-free | 0.24000 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.017 |
RMSD bond angle | 1.909 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.090 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.070 | 0.220 |
Number of reflections | 156738 | |
<I/σ(I)> | 14.7 | 5.8 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 18-19% PEG 4000, 0.1M IMIDAZOLE, 0.5M NACL, 0.2M SODIUM ACETATE |