1E9Y
Crystal structure of Helicobacter pylori urease in complex with acetohydroxamic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | I 2 3 |
Unit cell lengths | 178.160, 178.160, 178.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 * - 2.800* |
R-factor | 0.213 |
Rwork | 0.213 |
R-free | 0.27900 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.270 |
Data reduction software | DPS |
Data scaling software | SCALA |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | |
High resolution limit [Å] | 2.800 * | |
Rmerge | 0.079 * | 0.323 * |
Total number of observations | 330949 * | |
Number of reflections | 23322 * | |
Completeness [%] | 100.0 | 100 * |
Redundancy | 14 |
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)) |