29AK
Crystal structure of PaLpxC complexed with compound 8k
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.961, 66.807, 64.212 |
| Unit cell angles | 90.00, 90.53, 90.00 |
Refinement procedure
| Resolution | 64.210 - 1.504 |
| R-factor | 0.1879 |
| Rwork | 0.185 |
| R-free | 0.24240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.930 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (22-FEB-2023)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.210 | 1.640 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 31928 | 1596 |
| <I/σ(I)> | 6.8 | |
| Completeness [%] | 72.2 | |
| Redundancy | 3 | |
| CC(1/2) | 0.990 | 0.660 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M bis-tris propane pH8.5, 0.2 M ammonium nitrate, 18 % v/v PEG Smear High |
