5D03
Neisseria meningitidis 3 deoxy-D-arabino-heptulosonate 7-phosphate synthase Val223Ala variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2015-07-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.256, 135.622, 75.989 |
| Unit cell angles | 90.00, 96.27, 90.00 |
Refinement procedure
| Resolution | 75.530 - 1.840 |
| R-factor | 0.16442 |
| Rwork | 0.162 |
| R-free | 0.19700 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.525 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.530 | 1.880 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.054 | 0.942 |
| Number of reflections | 126857 | |
| <I/σ(I)> | 13.4 | 1.4 |
| Completeness [%] | 99.6 | 99.3 |
| Redundancy | 3.8 | 3.8 |
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 |
