1H7T
The structure of CMP:2-keto-3-deoxy-manno-octonic acid synthetase and of its complexes with substrates and substrate analogues, here complex with CMP-NeuAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 297 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.000, 133.650, 48.420 |
Unit cell angles | 90.00, 102.44, 90.00 |
Refinement procedure
Resolution | 22.000 - 2.480 |
R-factor | 0.173 |
Rwork | 0.173 |
R-free | 0.22500 |
Structure solution method | OTHER |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.100 | |
High resolution limit [Å] | 2.480 | 2.480 * |
Rmerge | 0.077 * | 0.180 * |
Number of reflections | 17810 | 1422 * |
Completeness [%] | 88.0 | 73 * |
Redundancy | 2.4 | 1.9 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 9.4 | 20 * | pH 9.40 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 8 (mg/ml) | |
2 | 1 | drop | PEG20000 | 8 (%(w/v)) | |
3 | 1 | drop | Tris-HCl | 50 (mM) | |
4 | 1 | drop | calcium acetate | 100 (mM) | |
5 | 1 | drop | 2.5 (mM) | ||
6 | 1 | drop | dithiothreitol | 1 (mM) | |
7 | 1 | reservoir | PEG20000 | 2-4 (%) |