2PU2
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 | 2006-10-06 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.721, 76.842, 97.495 |
Unit cell angles | 90.00, 115.80, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.860 |
R-factor | 0.179 |
Rwork | 0.178 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1l2s |
RMSD bond length | 0.012 |
RMSD bond angle | 1.404 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
High resolution limit [Å] | 1.860 | 4.010 | 1.860 |
Rmerge | 0.056 | 0.028 | 0.539 |
Number of reflections | 65664 | ||
<I/σ(I)> | 10.7 | ||
Completeness [%] | 99.5 | 100 | 95.5 |
Redundancy | 5.5 | 5.6 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 291 | pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K |