3IWO
X-ray crystal structure of the extended-spectrum AmpC Y221G mutant beta-lactamase at 1.90 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 | 2008-08-31 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.11587 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 117.717, 76.789, 98.693 |
Unit cell angles | 90.00, 116.62, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.900 |
R-factor | 0.15919 |
Rwork | 0.157 |
R-free | 0.19671 |
Structure solution method | Rigid body refinement from wild-type structure |
Starting model (for MR) | 1ke4 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.443 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 88.388 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.071 | 0.277 |
Number of reflections | 61926 | |
<I/σ(I)> | 18.1 | 2.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.1 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 293 | 1.7M KPi, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |