4KZ9
Crystal structure of AmpC beta-lactamase in complex with fragment 41 ((4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol)
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] | 80 |
Detector technology | CCD |
Collection date | 2012-05-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.115869 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.580, 76.420, 97.500 |
Unit cell angles | 90.00, 115.70, 90.00 |
Refinement procedure
Resolution | 29.518 - 1.720 |
R-factor | 0.1557 |
Rwork | 0.154 |
R-free | 0.19250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ke4 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.456 |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.518 | 1.760 | |
High resolution limit [Å] | 1.720 | 7.690 | 1.720 |
Rmerge | 0.058 | 0.019 | 0.504 |
Number of reflections | 80298 | 950 | 5834 |
<I/σ(I)> | 16.75 | 55.3 | 2.57 |
Completeness [%] | 96.3 | 96.1 | 94.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 293 | 1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |