1R7V
Glycosyltransferase A in complex with 3-amino-acceptor analog inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | AREA DETECTOR |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.600, 150.600, 79.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 * - 2.090 |
Rwork | 0.207 |
R-free | 0.23700 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS (1.1) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 * | |
High resolution limit [Å] | 2.090 | |
Rmerge | 0.046 * | 0.376 * |
Number of reflections | 18560 * | |
Completeness [%] | 96.6 * | 91.9 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 18 * | Patenaude, S.I., (2002) Nat. Struct. Biol., 9, 685. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 6-8 (mg/ml) | |
10 | 1 | reservoir | ADA | 50 (mM) | pH7.5 |
11 | 1 | reservoir | 10 (mM) | ||
12 | 1 | reservoir | ammonium sulfate | 100 (mM) | |
13 | 1 | reservoir | MPD | 5 (%(v/v)) | |
14 | 1 | reservoir | glycerol | 10 (%(v/v)) | |
15 | 1 | reservoir | PEG4000 | 8-10 (%(w/v)) | |
2 | 1 | drop | ADA | 70 (mM) | pH7.5 |
3 | 1 | drop | sodium acetate | 50 (mM) | pH4.6 |
4 | 1 | drop | 40 (mM) | ||
5 | 1 | drop | 5-8 (mM) | ||
6 | 1 | drop | MPD | 2.5 (%(v/v)) | |
7 | 1 | drop | glycerol | 5 (%(v/v)) | |
8 | 1 | drop | PEG4000 | 2 (%(w/v)) | |
9 | 1 | drop | 3-chloro-Hg-2-methoxy-propylurea | 0.3-0.5 (mM) |