5M79
Blood group synthase AAGlyB in complex with UMP and cryoprotected with glycerol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-04-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97857 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.606, 148.717, 79.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.083 - 1.300 |
R-factor | 0.138 |
Rwork | 0.137 |
R-free | 0.16070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zgg |
RMSD bond length | 0.013 |
RMSD bond angle | 1.241 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.083 | 1.370 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.714 | |
Number of reflections | 75731 | |
<I/σ(I)> | 8.7 | |
Completeness [%] | 98.6 | 96.3 |
Redundancy | 4.2 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | MOPS buffer, Manganese chloride,ammonium sulfate, PEG 3350 |