6WGS
Mycobacterium tuberculosis pduO-type ATP:cobalamin adenosyltransferase bound to adenosylcobalamin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-20 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.03 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 87.157, 87.157, 46.819 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.579 - 1.500 |
R-factor | 0.1557 |
Rwork | 0.155 |
R-free | 0.17210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2g2d |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.820 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 1.292 | |
Number of reflections | 33103 | 1609 |
<I/σ(I)> | 16.1 | |
Completeness [%] | 100.0 | |
Redundancy | 9.9 | |
CC(1/2) | 0.999 | 0.764 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 400 mM sodium phosphate monobasic/1600 mM potassium phosphate dibasic, 100 mM imidazole/HCl pH 8, and 200 mM sodium chloride |