5ZHI
Apo crystal structure of TrmD from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-03-01 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.170, 113.070, 44.210 |
Unit cell angles | 90.00, 110.75, 90.00 |
Refinement procedure
Resolution | 38.830 - 2.200 |
R-factor | 0.16159 |
Rwork | 0.160 |
R-free | 0.20010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | homology modeling from I-TASSER server |
RMSD bond length | 0.012 |
RMSD bond angle | 1.304 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.300 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.055 | 0.226 |
Number of reflections | 19717 | 5534 |
<I/σ(I)> | 16.1 | |
Completeness [%] | 96.1 | 91.8 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 100mM Bis-Tris at pH 6.5, 20%(w/v) PEG3350, 0.1M ammonium acetate |