4ZX6
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10s
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-14 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.860, 109.000, 118.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.690 - 2.050 |
| R-factor | 0.177 |
| Rwork | 0.174 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ebg |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.655 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.3.8) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.690 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.207 | 1.086 |
| Number of reflections | 61602 | |
| <I/σ(I)> | 8.7 | 1.9 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 22% (v/v) PEG 8000, 10* (v/v) glycerol, 0.1 M Tris pH 8.5, 0.2 M MgCl2 |
