4M89
Crystal Structure of Enoyl-Acyl Carrier Protein Reductase (FabI) from Neisseria meningitidis in complex with NAD+ and Triclosan
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 | CCD |
Collection date | 2013-03-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 90.770, 90.770, 241.270 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.060 - 1.900 |
R-factor | 0.16841 |
Rwork | 0.167 |
R-free | 0.18613 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.498 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.470 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 47336 | |
Completeness [%] | 99.9 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 296.15 | 1.8M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 296.15K |