1E9Z
Crystal structure of Helicobacter pylori urease
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MACSCIENCE M18X |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MACSCIENCE |
Spacegroup name | I 2 3 |
Unit cell lengths | 177.910, 177.910, 177.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 * - 2.800* |
R-factor | 0.206 * |
Rwork | 0.212 |
R-free | 0.28700 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1KAU |
RMSD bond length | 0.008 |
RMSD bond angle | 1.260 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | |
High resolution limit [Å] | 2.800 * | |
Rmerge | 0.114 * | 0.317 * |
Total number of observations | 393095 * | |
Number of reflections | 23292 * | |
<I/σ(I)> | 5.7 | |
Completeness [%] | 89.1 * | 75.8 * |
Redundancy | 20 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6.5 | 12 * | used macroseeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
2 | 1 | reservoir | MES | 0.1 (M) | |
3 | 1 | reservoir | Jeffamine-M600 | 25 (%(v/v)) |