5CZ0
Neisseria meningitidis 3 dexy-D-arabino-heptulosonate 7-phosphate synthase Glu98Ala variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2014-10-23 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.850, 135.250, 76.040 |
| Unit cell angles | 90.00, 95.95, 90.00 |
Refinement procedure
| Resolution | 75.630 - 2.500 |
| R-factor | 0.20438 |
| Rwork | 0.200 |
| R-free | 0.26394 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hsn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.431 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.630 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.122 | 0.753 |
| Number of reflections | 50068 | |
| <I/σ(I)> | 9 | 2 |
| Completeness [%] | 97.7 | 97.6 |
| Redundancy | 6.7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 296 | 0.1M Tris HCl (pH 7.3), 0.2 M trimethyl-amino-N-oxide (TMAO), 0.4 mM MnSO4 and PEG 2000MME |
