5DC2
X-RAY CRYSTAL STRUCTURE OF A ENZYMATICALLY DEGRADED BIAPENEM-ADDUCT OF L,D-TRANSPEPTIDASE 2 FROM MYCOBACTERIUM TUBERCULOSIS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-01-03 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5146 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.822, 93.354, 75.243 |
| Unit cell angles | 90.00, 92.61, 90.00 |
Refinement procedure
| Resolution | 37.015 - 2.182 |
| R-factor | 0.162 |
| Rwork | 0.160 |
| R-free | 0.20840 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.069 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.015 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.230 | |
| Number of reflections | 47794 | |
| <I/σ(I)> | 193.5 | 3.36 |
| Completeness [%] | 90.9 | 50.8 |
| Redundancy | 3.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 18 % v/v PEG MME 500 0.2 M Amonium Sulfate Tris HCl 100mM NaCl |
