6RRN
GOLGI ALPHA-MANNOSIDASE II in complex with pentyl 2,5-dideoxy-2,5-imino-D-talo-hexonamide
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 | 2018-11-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.710, 90.386, 130.274 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.370 - 1.590 |
| R-factor | 0.1814 |
| Rwork | 0.180 |
| R-free | 0.20960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bub |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.688 |
| 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] | 90.390 | 1.620 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Number of reflections | 140967 | 6938 |
| <I/σ(I)> | 10.3 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.9 | |
| CC(1/2) | 0.997 | 0.717 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M sodium succinate, pH 7.4 10 % PEG 3350 with microseeding |
