1S3T
BORATE INHIBITED BACILLUS PASTEURII UREASE CRYSTAL STRUCTURE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-21 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 130.906, 130.906, 189.366 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.770 - 2.100 |
| R-factor | 0.17805 |
| Rwork | 0.177 |
| R-free | 0.20455 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ubp |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.286 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.800 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.130 | 0.547 |
| Number of reflections | 56215 | |
| <I/σ(I)> | 13.9 | 3.56 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 8.16 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 293 | 1.8 M AMS, 100 mM citric acid, 100 mM boric acid , pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
