5L7U
Crystal structure of BvGH123 with bound GalNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.345, 142.207, 145.806 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.000 - 2.100 |
| R-factor | 0.1943 |
| Rwork | 0.193 |
| R-free | 0.22670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5l7r |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.592 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.104 | 1.530 |
| Number of reflections | 68163 | |
| <I/σ(I)> | 12 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.3 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M BisTRis pH 6.0-7.0 17 % PEG MME2k 10 mM GalNAc |
