3IXD
X-ray crystal structure of the extended-spectrum AmpC V298E mutant beta-lactamase at 2.64 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-09-13 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.11587 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.271, 75.852, 84.086 |
Unit cell angles | 90.00, 100.25, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.640 |
R-factor | 0.18759 |
Rwork | 0.185 |
R-free | 0.23611 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.419 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.761 | 2.780 |
High resolution limit [Å] | 2.640 | 2.640 |
Rmerge | 0.089 | 0.378 |
Number of reflections | 29778 | |
<I/σ(I)> | 17.9 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.4 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 30% PEG 8000, 0.1M Na cacodylate, 0.2 M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |