4ZX3
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10b
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 | 2014-07-26 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.660, 109.090, 117.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.730 - 2.000 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ebg |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.682 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.3.8) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.730 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.160 | 1.159 |
| Number of reflections | 65505 | |
| <I/σ(I)> | 10.2 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 7.2 |
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 |
