2R9W
AmpC beta-lactamase with bound Phthalamide inhibitor
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 | 2007-08-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.683, 77.255, 97.939 |
Unit cell angles | 90.00, 116.53, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.800 |
R-factor | 0.164 |
Rwork | 0.163 |
R-free | 0.19300 |
Starting model (for MR) | 2hpu |
RMSD bond length | 0.011 |
RMSD bond angle | 1.369 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.2.0019) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.053 | 0.356 |
Number of reflections | 72824 | |
<I/σ(I)> | 14.2 | |
Completeness [%] | 99.4 | 98.3 |
Redundancy | 2.9 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 291 | 1.7M KiPO4, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K |