5N1B
hPAD4 crystal complex with AFM-14a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 173 |
| Detector technology | PIXEL |
| Collection date | 2015-05-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 147.580, 60.600, 115.980 |
| Unit cell angles | 90.00, 124.62, 90.00 |
Refinement procedure
| Resolution | 42.720 - 2.900 |
| R-factor | 0.22521 |
| Rwork | 0.222 |
| R-free | 0.28357 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.669 |
| Data reduction software | xia2 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.720 | 2.320 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Number of reflections | 38373 | 2884 |
| <I/σ(I)> | 4.1 | 1 |
| Completeness [%] | 96.7 | 98.6 |
| Redundancy | 3.1 | 3.3 |
| CC(1/2) | 0.930 | 0.653 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 283 | 0.1M imidazole pH7.5, 0.2mM LiSO4, 8-11% PEG3350 |
