6AFN
Crystal structure of class A b-lactamase, PenL, variant Cys69Tyr, from Burkholderia thailandensis, in complex with ceftazidime-like boronic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97954 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.660, 53.238, 122.981 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.282 - 1.400 |
| R-factor | 0.1481 |
| Rwork | 0.147 |
| R-free | 0.16950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gl9 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.104 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.078 | 0.256 |
| Number of reflections | 50752 | 2479 |
| <I/σ(I)> | 43.78 | |
| Completeness [%] | 99.6 | |
| Redundancy | 12.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 200 mM sodium acetate trihydrate 20% (w/v) polyethylene glycol 3350 |
