5DCB
Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase regulated and complexed with PEP
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 | 2015-08-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.458, 140.310, 75.500 |
| Unit cell angles | 90.00, 96.89, 90.00 |
Refinement procedure
| Resolution | 74.960 - 2.050 |
| R-factor | 0.17143 |
| Rwork | 0.169 |
| R-free | 0.21204 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.326 |
| 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] | 74.960 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.109 | 0.686 |
| Number of reflections | 97425 | |
| <I/σ(I)> | 8.3 | 1.7 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 296 | 0.1M Tris HCl (pH 7.3), 0.2 M trimethyl-amino-N-oxide (TMAO), 0.4 mM MnSO4 and PEG 2000MME |
