4KZ4
Crystal structure of AmpC beta-lactamase in complex with fragment 60 (2-[(propylsulfonyl)amino]benzoic acid)
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 | 2012-10-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.115869 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.570, 76.630, 98.100 |
Unit cell angles | 90.00, 116.16, 90.00 |
Refinement procedure
Resolution | 29.655 - 1.420 |
R-factor | 0.1382 |
Rwork | 0.137 |
R-free | 0.17570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ke4 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.192 |
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] | 29.655 | 1.460 | |
High resolution limit [Å] | 1.420 | 6.350 | 1.420 |
Rmerge | 0.028 | 0.013 | 0.481 |
Number of reflections | 142590 | 1331 | 10287 |
<I/σ(I)> | 20.14 | 60.99 | 2.13 |
Completeness [%] | 96.0 | 76.2 | 94.4 |
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 |