6MGQ
ERAP1 in the open conformation bound to 10mer phosphinic inhibitor DG014
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.140, 234.700, 132.280 |
| Unit cell angles | 90.00, 93.12, 90.00 |
Refinement procedure
| Resolution | 56.060 - 2.920 |
| R-factor | 0.201 |
| Rwork | 0.198 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mdj |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.780 |
| Data reduction software | MOSFLM (7.2.1) |
| Data scaling software | STARANISO (1.7.2) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3211) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.730 | 2.990 |
| High resolution limit [Å] | 2.830 | 2.920 |
| Rmerge | 0.182 | 1.919 |
| Number of reflections | 80216 | |
| <I/σ(I)> | 4.1 | 0.3 |
| Completeness [%] | 99.0 | 98.9 |
| Redundancy | 2.7 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 293 | Final drop composition: 100mM Tris pH 8.60, 3.5% PEG 8000, 3% D-sorbitol, 5mg/mL ERAP1 preincubated with inhibitor |
