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 |