6GWZ
Blood group synthase AAGlyB in its apo form 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 PILATUS3 2M |
Wavelength(s) | 0.8726 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.879, 149.625, 79.644 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.850 - 1.650 |
R-factor | 0.16962 |
Rwork | 0.168 |
R-free | 0.20817 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3zgg |
RMSD bond length | 0.010 |
RMSD bond angle | 1.631 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.260 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 38277 | |
<I/σ(I)> | 11.3 | |
Completeness [%] | 99.7 | |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | MOPS buffer, Magnesium chloride, ammonium sulfate and PEG 3350 |