5VYQ
Crystal structure of the N-formyltransferase Rv3404c from mycobacterium tuberculosis in complex with YDP-Qui4N and folinic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-01-20 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.486, 73.018, 173.265 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.600 |
R-factor | 0.16841 |
Rwork | 0.167 |
R-free | 0.20025 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pzu |
RMSD bond length | 0.011 |
RMSD bond angle | 1.913 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.078 | 0.351 |
Number of reflections | 79772 | 12792 |
<I/σ(I)> | 12.4 | 2.5 |
Completeness [%] | 99.1 | 96.8 |
Redundancy | 6.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 20% PEG-8000, 100 mM HEPPS, 200 mM KCl, 5 mM TDP-Qui4N, 5 mM folinic acid |