6MA3
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 2a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 98.180, 98.180, 365.104 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 85.026 - 2.000 |
| R-factor | 0.1871 |
| Rwork | 0.186 |
| R-free | 0.21170 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4n3a |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.537 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.12) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 85.030 | 85.030 | 2.040 |
| High resolution limit [Å] | 2.000 | 9.590 | 2.000 |
| Rmerge | 0.150 | 0.041 | 1.251 |
| Rmeas | 0.165 | 0.046 | 1.423 |
| Rpim | 0.067 | 0.021 | 0.660 |
| Total number of observations | 399210 | ||
| Number of reflections | 70965 | 809 | 4404 |
| <I/σ(I)> | 6.7 | ||
| Completeness [%] | 99.3 | 96.6 | 97.5 |
| Redundancy | 5.6 | 4.6 | 4.2 |
| CC(1/2) | 0.995 | 0.998 | 0.469 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 1.05 M Sodium Citrate Tribasic Dihydrate, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
