5E5L
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 1 at 1.89 Angstrom
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 | 2015-04-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.978 |
Spacegroup name | P 31 |
Unit cell lengths | 57.731, 57.731, 256.601 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.537 - 1.890 |
R-factor | 0.2139 |
Rwork | 0.208 |
R-free | 0.25690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3JMN |
RMSD bond length | 0.010 |
RMSD bond angle | 1.416 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX ((phenix.refine: 1.9_1692)) |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 24.540 | 50.000 | 1.850 |
High resolution limit [Å] | 1.890 | 4.860 | 1.820 |
Rmerge | 0.119 | 0.097 | |
Rmeas | 0.125 | 0.103 | |
Rpim | 0.037 | 0.031 | 0.392 |
Total number of observations | 317362 | ||
Number of reflections | 72790 | ||
<I/σ(I)> | 8.8 | ||
Completeness [%] | 98.6 | 87.2 | 100 |
Redundancy | 13 | 11 | 10.1 |
CC(1/2) | 0.987 | 0.808 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG6000, Bicine |