6RQZ
GOLGI ALPHA-MANNOSIDASE II complex with Manno-epi-cyclophellitol aziridine
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 | 2016-12-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.620, 89.989, 82.932 |
| Unit cell angles | 90.00, 101.84, 90.00 |
Refinement procedure
| Resolution | 81.300 - 1.530 |
| R-factor | 0.1577 |
| Rwork | 0.156 |
| R-free | 0.18340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bub |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.780 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.990 | 1.560 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Number of reflections | 163365 | 8006 |
| <I/σ(I)> | 12.4 | |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 4 | |
| CC(1/2) | 0.999 | 0.727 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 10 % PEG 3,350, 0.1 M sodium succinate pH 7.0 with micro seeding |
