5E1I
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T210
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 | 2015-03-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.978 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.183, 93.957, 75.391 |
Unit cell angles | 90.00, 93.04, 90.00 |
Refinement procedure
Resolution | 37.242 - 2.003 |
R-factor | 0.1926 |
Rwork | 0.191 |
R-free | 0.22490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vyn |
RMSD bond length | 0.008 |
RMSD bond angle | 1.180 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 37.240 | 2.030 |
High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
Rmerge | 0.090 | 0.054 | 0.429 |
Number of reflections | 56440 | ||
<I/σ(I)> | 10.7 | ||
Completeness [%] | 98.6 | 98.7 | 97.2 |
Redundancy | 7.4 | 7.2 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG5000MME, Ammonium sulfate |