5N0M
hPAD4 crystal complex with BB-F-amidine
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 | 2015-05-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 147.910, 61.300, 115.750 |
| Unit cell angles | 90.00, 124.83, 90.00 |
Refinement procedure
| Resolution | 60.710 - 2.180 |
| R-factor | 0.18985 |
| Rwork | 0.187 |
| R-free | 0.23988 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.706 |
| 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] | 60.710 | 2.240 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.044 | |
| Number of reflections | 43685 | 3169 |
| <I/σ(I)> | 12.6 | 1.4 |
| Completeness [%] | 98.1 | 97.1 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.998 | 0.646 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 283 | 0.1M imidazole pH7.5, 0.2M LiSO4, 8-11% PEG3350 |
