6AFP
Crystal structure of class A b-lactamase, PenL, variant Asn136Asp, 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 | 2012-12-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.883, 92.393, 68.841 |
| Unit cell angles | 90.00, 94.27, 90.00 |
Refinement procedure
| Resolution | 27.789 - 1.398 |
| R-factor | 0.1495 |
| Rwork | 0.148 |
| R-free | 0.17530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gl9 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.853 |
| 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] | 1.398 | 1.400 |
| Rmerge | 0.089 | 0.287 |
| Number of reflections | 84356 | 4189 |
| <I/σ(I)> | 36.43 | |
| Completeness [%] | 98.6 | |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM sodium acetate pH 5.0 200 mM sodium chloride 25% (w/v) polyethylene glycol 3350 |
