5D61
MOA-Z-VAD-fmk complex, direct orientation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-08-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 120.607, 120.607, 100.129 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.300 - 1.600 |
| R-factor | 0.16181 |
| Rwork | 0.161 |
| R-free | 0.18620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ef2 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.156 |
| Data reduction software | XDS (VERSION March 15, 2012) |
| Data scaling software | XDS |
| Phasing software | PHASER (2.5.1) |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.310 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.060 | 0.540 |
| Number of reflections | 56827 | |
| <I/σ(I)> | 16.1 | 2.7 |
| Completeness [%] | 99.5 | 99 |
| Redundancy | 4.8 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293.15 | 0.1 M imidazole pH 8.0, 12% PEG 8000, 0.2 M calcium acetate |
