6PBJ
The structure of 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase with Gly190Pro mutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-24 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 204.251, 204.251, 66.551 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.830 - 1.900 |
| R-factor | 0.1588 |
| Rwork | 0.158 |
| R-free | 0.17990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nv8 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.435 |
| Data reduction software | MOSFLM (7.1.0) |
| Data scaling software | Aimless (0.2.17) |
| Phasing software | MOLREP (11.2.08) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.060 | 51.060 | 1.930 |
| High resolution limit [Å] | 1.900 | 10.410 | 1.900 |
| Rmerge | 0.131 | 0.039 | 1.333 |
| Rmeas | 0.136 | 0.041 | 1.429 |
| Rpim | 0.035 | 0.009 | 0.488 |
| Total number of observations | 1783055 | 15507 | 45171 |
| Number of reflections | 124730 | 821 | 6099 |
| <I/σ(I)> | 16.9 | 55.8 | 1.6 |
| Completeness [%] | 99.9 | 97.8 | 99.5 |
| Redundancy | 14.3 | 18.9 | 7.4 |
| CC(1/2) | 0.995 | 0.999 | 0.345 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 20 mM BTP, 150 mM NaCl, 0.5 mM TCEP, 0.2 mM PEP, 0.1 mM MnCl2, 2M Li2SO4, 2% PEG 400 |
