7RML
Neisseria meningitidis Methylenetetrahydrofolate reductase in complex with FAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 140.444, 146.598, 86.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.450 - 2.700 |
R-factor | 0.2366 |
Rwork | 0.234 |
R-free | 0.27800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ume |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.16-3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.600 | 44.600 | 2.830 |
High resolution limit [Å] | 2.700 | 8.960 | 2.700 |
Rmerge | 0.076 | 0.029 | 0.941 |
Rmeas | 0.079 | 0.030 | 0.978 |
Rpim | 0.021 | 0.008 | 0.266 |
Total number of observations | 339610 | 9217 | 44336 |
Number of reflections | 25042 | 761 | 3312 |
<I/σ(I)> | 20.9 | 70.2 | 3 |
Completeness [%] | 100.0 | 99.2 | 100 |
Redundancy | 13.6 | 12.1 | 13.4 |
CC(1/2) | 1.000 | 0.999 | 0.911 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 10 - 20% PEG 3350 |