1GQC
THE STRUCTURE OF CMP:2-KETO-3-DEOXY-MANNO-OCTONIC ACID SYNTHETASE COMPLEXED WITH CMP-Kdo at 100K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.944, 130.996, 48.148 |
Unit cell angles | 90.00, 102.31, 90.00 |
Refinement procedure
Resolution | 25.000 * - 2.600 |
R-factor | 0.178 |
Rwork | 0.178 |
R-free | 0.24000 |
Structure solution method | OTHER |
RMSD bond length | 0.010 |
RMSD bond angle | 1.400 |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.000 | |
High resolution limit [Å] | 2.600 | 2.570 * |
Rmerge | 0.115 | 0.330 * |
Number of reflections | 15622 | 2075 * |
<I/σ(I)> | 6 | |
Completeness [%] | 88.0 | 81 * |
Redundancy | 5.9 | 5.7 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 9.4 | 20 * | Jelakovic, S., (2001) J.Mol.Biol., 312, 143. * |
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 (%) |