4N3C
Crystal Structure of human O-GlcNAc Transferase bound to a peptide from HCF-1 pro-repeat2(1-26) and UDP-GlcNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-19 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.1 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 98.880, 98.880, 365.930 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 62.517 - 2.550 |
R-factor | 0.1858 |
Rwork | 0.184 |
R-free | 0.22610 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.749 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.633 | 70.086 | 2.690 |
High resolution limit [Å] | 2.550 | 8.060 | 2.550 |
Rmerge | 0.064 | 0.807 | |
Total number of observations | 3333 | 14375 | |
Number of reflections | 33955 | ||
<I/σ(I)> | 6 | 6.5 | 0.8 |
Completeness [%] | 96.1 | 94.4 | 92.7 |
Redundancy | 3 | 2.7 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 0.86M Potassium Phosphate Dibasic, 0.86M Sodium Phosphate Monobasic, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |