6AFM
Crystal structure of class A b-lactamase, PenL, variant Cys69Tyr, from Burkholderia thailandensis
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) | 0.97951 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.477, 52.981, 122.731 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.683 - 1.300 |
| R-factor | 0.1505 |
| Rwork | 0.150 |
| R-free | 0.16760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gl9 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.830 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.054 | 0.098 |
| Number of reflections | 62299 | 3048 |
| <I/σ(I)> | 49.47 | |
| Completeness [%] | 99.3 | |
| Redundancy | 6.5 |
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 |
