6EEE
X-ray crystal structure of Pf-M17 in complex with inhibitor (6k) and regulatory zinc ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-08-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 173.680, 177.395, 229.445 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.170 - 2.300 |
| R-factor | 0.196 |
| Rwork | 0.193 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.098 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.9) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.880 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.253 | 1.512 |
| Number of reflections | 311885 | |
| <I/σ(I)> | 5.9 | |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 5.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 30% PEG400, 0.2M Li2SO4, 0.1M Tris pH 8 |
