7KKG
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, N84D mutant with pyruvate bound in the active site and L-lysine bound at the allosteric site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 85.670, 225.730, 200.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.883 - 1.640 |
| R-factor | 0.1391 |
| Rwork | 0.138 |
| R-free | 0.16900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ly8 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.199 |
| Data reduction software | HKL-3000 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (dev_2398) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.883 | 1.699 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.190 | |
| Number of reflections | 233653 | 22156 |
| <I/σ(I)> | 20.49 | |
| Completeness [%] | 98.8 | 94.35 |
| Redundancy | 15 | |
| CC(1/2) | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.4 | 288.15 | 0.7 M Magnesium acetate, 10 % PEG8000, 0.1 M Sodium acetate (pH 7.4), 120 mML-Lysine |
