5E2F
Crystal Structure of Beta-lactamase class D from Bacillus subtilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97927 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.699, 68.856, 153.979 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.112 - 1.300 |
| R-factor | 0.1263 |
| Rwork | 0.125 |
| R-free | 0.15210 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.081 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MLPHARE |
| Refinement software | PHENIX (1.10pre-2104) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.112 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.513 | |
| Number of reflections | 123708 | |
| <I/σ(I)> | 20.22 | 1.67 |
| Completeness [%] | 98.6 | 91.8 |
| Redundancy | 5.1 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2 M Calcium Chloride, 0.1 M Tris:HCl pH 8.5, 20% (w/v) PEG 4000 |
