2VAT
Crystal structure of deacetylcephalosporin C acetyltransferase in complex with coenzyme A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-04-22 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 121.959, 109.278, 197.001 |
Unit cell angles | 90.00, 90.23, 90.00 |
Refinement procedure
Resolution | 122.170 - 2.200 |
R-factor | 0.201 |
Rwork | 0.200 |
R-free | 0.23000 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.019 |
RMSD bond angle | 1.435 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.970 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.090 | 0.250 |
Number of reflections | 258318 | |
<I/σ(I)> | 10.6 | 3.7 |
Completeness [%] | 98.6 | 95.8 |
Redundancy | 3.1 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 18-19% PEG 4000, 0.1M IMIDAZOLE, 0.5M NACL, 0.2M SODIUM ACETATE | |||
1 | 18-19% PEG 4000, 0.1M IMIDAZOLE, 0.5M NACL, 0.2M SODIUM ACETATE |