6NND
Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and dihydrofolate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-25 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.981, 70.863, 72.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.563 - 1.700 |
R-factor | 0.1723 |
Rwork | 0.170 |
R-free | 0.20940 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | Aimless (0.2.8) |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.563 | 46.560 | 1.730 |
High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
Rmerge | 0.063 | 0.046 | 0.607 |
Rmeas | 0.066 | 0.048 | 0.686 |
Rpim | 0.019 | 0.014 | 0.310 |
Number of reflections | 34680 | 291 | 1536 |
<I/σ(I)> | 25.1 | ||
Completeness [%] | 98.8 | 99.4 | 84.4 |
Redundancy | 11.4 | 10.3 | 4.4 |
CC(1/2) | 0.999 | 0.999 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 1.8 M Ammonium Sulphate, 10 mM colbalt chloride, 100 mM MES |