5Z79
Crystal Structure Analysis of the HPPK-DHPS in complex with substrates
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-10 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 136.049, 113.892, 172.387 |
| Unit cell angles | 90.00, 94.24, 90.00 |
Refinement procedure
| Resolution | 49.820 - 2.900 |
| R-factor | 0.24263 |
| Rwork | 0.242 |
| R-free | 0.28542 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eye |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.643 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.820 | 2.840 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Number of reflections | 129475 | 5799 |
| <I/σ(I)> | 4.5 | 0.7 |
| Completeness [%] | 99.4 | 90.41 |
| Redundancy | 3.5 | |
| CC(1/2) | 0.900 | 0.200 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG3350, 0.2M Potassium citrate tribasic monohydrate |
