7A9G
Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Mycobacterium tuberculosis with intermediate 2-acetyl-thiamine diphosphate
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.033213 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.865, 126.170, 79.031 |
Unit cell angles | 90.00, 106.28, 90.00 |
Refinement procedure
Resolution | 48.552 - 1.900 |
Rwork | 0.154 |
R-free | 0.19040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2o1x |
RMSD bond length | 0.008 |
RMSD bond angle | 1.476 |
Data reduction software | pointless (1.11.21) |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP (11.6.02) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.552 | 1.968 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.049 | 0.365 |
Rpim | 0.049 | 0.365 |
Number of reflections | 92339 | 9196 |
<I/σ(I)> | 12.4 | 2.52 |
Completeness [%] | 99.4 | 99.38 |
Redundancy | 1.9 | 1.9 |
CC(1/2) | 0.997 | 0.779 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M DL-Malic acid, MES monohydrate, Tris (MMT)-buffer, pH 5.0 + 25% PEG1500 |