4QRA
Structure and specificity of L-D-Transpeptidase from Mycobacterium tuberculosis and antibiotic resistance: Calcium binding promotes dimer formation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2012-04-06 |
| Detector | ADSC QUANTUM 4r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.758, 88.132, 90.512 |
| Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
| Resolution | 34.860 - 2.290 |
| R-factor | 0.18409 |
| Rwork | 0.182 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.843 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 34.860 |
| High resolution limit [Å] | 2.290 |
| Rmerge | 0.057 |
| Number of reflections | 37534 |
| <I/σ(I)> | 16.21 |
| Completeness [%] | 96.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 289 | 0.02 M calcium chloride, 0.1 M sodium acetate buffer (pH 4.6 to 5), and 30% methyl-2,4-pentanediol (v/v), VAPOR DIFFUSION, SITTING DROP, temperature 289K |
