7PGM
HHIP-C in complex with heparin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97631 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 170.637, 105.252, 148.433 |
| Unit cell angles | 90.00, 95.97, 90.00 |
Refinement procedure
| Resolution | 84.855 - 2.700 |
| R-factor | 0.217 |
| Rwork | 0.216 |
| R-free | 0.23980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wft |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.866 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2645: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 147.600 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.077 | |
| Rpim | 0.033 | |
| Number of reflections | 71834 | 3487 |
| <I/σ(I)> | 12.6 | 0.8 |
| Completeness [%] | 99.9 | 98.4 |
| Redundancy | 6.6 | 5.8 |
| CC(1/2) | 1.000 | 0.300 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M bis-Tris pH 6.5, 0.2 M sodium citrate and 20% w/v PEG 3350 |
