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 |