5M7C
Blood group synthase AAGlyB in complex with UDP and cryoprotected with PEG 3350
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.730, 77.768, 79.995 |
| Unit cell angles | 90.00, 109.19, 90.00 |
Refinement procedure
| Resolution | 38.880 - 1.600 |
| R-factor | 0.15207 |
| Rwork | 0.151 |
| R-free | 0.18006 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zgg |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.580 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.940 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.115 | 0.624 |
| Number of reflections | 79596 | |
| <I/σ(I)> | 7.6 | 1.9 |
| Completeness [%] | 99.1 | 99.8 |
| Redundancy | 3.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | MOPS buffer, manganese chloride, ammonium sulfate, PEG 3350 |
