2R9X
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 | 118.857, 76.737, 97.671 |
Unit cell angles | 90.00, 116.56, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.900 |
R-factor | 0.161 |
Rwork | 0.159 |
R-free | 0.19400 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.382 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.2.0019) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Rmerge | 0.067 | 0.035 | 0.420 |
Number of reflections | 60696 | ||
<I/σ(I)> | 12.1 | ||
Completeness [%] | 98.6 | 99.7 | 97 |
Redundancy | 2.9 | 2.9 | 2.8 |
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 |