4PQG
Crystal structure of the pneumococcal O-GlcNAc transferase GtfA in complex with UDP and GlcNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.240, 125.630, 127.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.410 - 2.000 |
| R-factor | 0.20116 |
| Rwork | 0.199 |
| R-free | 0.24819 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.237 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.410 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.087 | 0.403 |
| Number of reflections | 77663 | |
| <I/σ(I)> | 17 | 4.7 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 8.9 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 0.1 M Tris-Cl, 0.2 M Li2SO4, 15% PEG3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
