4R53
dihydrodipicolinate synthase from C. jejuni with vacant active site and vacant allosteric site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-12 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.220, 97.560, 82.400 |
| Unit cell angles | 90.00, 109.47, 90.00 |
Refinement procedure
| Resolution | 46.019 - 2.000 |
| R-factor | 0.1754 |
| Rwork | 0.173 |
| R-free | 0.21280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.928 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.000 | 4.580 | 1.630 |
| High resolution limit [Å] | 2.000 | 3.250 | 1.530 |
| Rmerge | 0.245 | 0.062 | 0.062 |
| Number of reflections | 77665 | 11734 | 11423 |
| <I/σ(I)> | 4.46 | 16.36 | 0.15 |
| Completeness [%] | 84.5 | 99.7 | 41.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 288 | 20% PEG4000, 0.2 M Sodium Acetate, 0.1 mM TRIS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
