2ZC7
Crystal Structure of Class C beta-Lactamase ACT-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-05-28 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 77.047, 80.521, 86.881 |
Unit cell angles | 76.23, 68.88, 63.46 |
Refinement procedure
Resolution | 20.000 - 2.400 |
R-factor | 0.24 |
Rwork | 0.240 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xx2 |
RMSD bond length | 0.021 |
RMSD bond angle | 2.540 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.054 | 0.328 |
Number of reflections | 86460 | |
<I/σ(I)> | 14.7 | 30.2 |
Completeness [%] | 89.6 | 84.4 |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 285 | 30% PEG4000, 0.1M Tris-HCl, 0.2M sodium acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K |