8PXZ
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with natural substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-04 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97628 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 77.120, 95.830, 59.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.180 - 1.980 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.22550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.132 |
Data reduction software | XDS |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.180 | 2.010 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.140 | 1.997 |
Rmeas | 0.140 | 2.091 |
Rpim | 0.038 | 0.606 |
Number of reflections | 31119 | 1348 |
<I/σ(I)> | 12.3 | 1.4 |
Completeness [%] | 99.5 | 89.3 |
Redundancy | 13.2 | 12.1 |
CC(1/2) | 0.998 | 0.536 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.1 M HEPES pH 7.0, 25% Jeffamine ED-2001 pH 7.0 |