5BNW
The active site of O-GlcNAc transferase imposes constraints on substrate sequence
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-09 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.92 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 138.183, 150.176, 199.241 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.400 |
R-factor | 0.18981 |
Rwork | 0.187 |
R-free | 0.23517 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pe4 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.492 |
Data reduction software | XDS (0.5) |
Data scaling software | SCALA (3.3.21) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.104 | 0.719 |
Number of reflections | 40463 | |
<I/σ(I)> | 11.8 | 2.4 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.5 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 294 | 1.3 M DL-Malic acid pH 6.4, 0.1 M Bis-Tris propane pH 6.4 supplemented with crystal seeds grown out of the same condition. |