5CXY
Structure of a Glycosyltransferase in Complex with Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-06-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.502 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.840, 96.640, 124.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.720 - 2.150 |
| R-factor | 0.2 |
| Rwork | 0.198 |
| R-free | 0.23520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5bo6 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.890 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.9) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 52.720 | 52.720 | 2.220 |
| High resolution limit [Å] | 2.150 | 8.860 | 2.150 |
| Rmerge | 0.084 | 0.021 | 0.604 |
| Rpim | 0.047 | 0.013 | 0.340 |
| Total number of observations | 200266 | 2933 | 16871 |
| Number of reflections | 48673 | ||
| <I/σ(I)> | 11.8 | 33.3 | 2.3 |
| Completeness [%] | 100.0 | 99.4 | 100 |
| Redundancy | 4.1 | 3.7 | 4.1 |
| CC(1/2) | 0.997 | 0.995 | 0.709 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 293 | 130 mM (NH)4H2PO4, 22% PEG2000 and 50 mM PIPES pH 7.3 |
