3VYP
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase LdtMt2-N140 adduct with meropenem
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 98 |
| Detector technology | CCD |
| Collection date | 2012-07-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.610, 73.280, 103.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.864 - 1.400 |
| R-factor | 0.1652 |
| Rwork | 0.163 |
| R-free | 0.19830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vyo |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.972 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.420 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.085 | 0.535 |
| Number of reflections | 101442 | |
| <I/σ(I)> | 11 | 1.9 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 6.2 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.2M ammonium acetate, 0.1M Bis-Tris, 25% PEG3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
