1IE7
PHOSPHATE INHIBITED BACILLUS PASTEURII UREASE CRYSTAL STRUCTURE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-06-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.834 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 131.489, 131.489, 189.489 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 12.000 * - 1.850 |
| R-factor | 0.173 * |
| Rwork | 0.170 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ubp |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.033 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.097 | 0.448 |
| Total number of observations | 381291 * | |
| Number of reflections | 82718 * | |
| <I/σ(I)> | 10.2 | 1.85 |
| Completeness [%] | 99.3 | 94.3 |
| Redundancy | 4.61 * | 3.2 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 * | 20 * | 1.8 M AMS, 100 mM Sodium Phosphate, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 11 (mg/ml) | |
| 2 | 1 | drop | sodium phosphate | 50 (mM) | pH7.5 |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | reservoir | ammonium sulfate | 1.6-1.8 (M) | |
| 5 | 1 | reservoir | sodium phosphate | 100 (mM) | pH6.3 |
