5DCC
X-RAY CRYSTAL STRUCTURE OF a TEBIPENEM 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 | 2015-01-26 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5146 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.934, 94.400, 75.385 |
Unit cell angles | 90.00, 92.88, 90.00 |
Refinement procedure
Resolution | 43.165 - 2.451 |
R-factor | 0.173 |
Rwork | 0.168 |
R-free | 0.21440 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5dc2 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.725 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.165 | 2.490 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.214 | |
Number of reflections | 31118 | |
<I/σ(I)> | 18.9 | 3.7 |
Completeness [%] | 99.1 | 91.1 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | PEG MONOMETHYLESTER 5500 18 % w/v 0.2 M AmSulphate 25 mM Tris HCl |