2VAV
Crystal structure of deacetylcephalosporin C acetyltransferase (DAC-Soak)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-24 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 122.065, 108.865, 195.792 |
Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
Resolution | 103.700 - 2.500 |
R-factor | 0.22 |
Rwork | 0.219 |
R-free | 0.25500 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.015 |
RMSD bond angle | 1.718 |
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] | 109.110 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.080 | 0.370 |
Number of reflections | 177299 | |
<I/σ(I)> | 12.9 | 3.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.7 | 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 |