4GOA
Crystal structure of jack bean urease inhibited with fluoride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Detector technology | PIXEL |
| Collection date | 2009-06-25 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 139.490, 139.490, 198.081 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.920 - 2.200 |
| R-factor | 0.16335 |
| Rwork | 0.161 |
| R-free | 0.21034 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3la4 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.959 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 2.200 |
| Rmerge | 0.181 |
| Number of reflections | 57689 |
| <I/σ(I)> | 9 |
| Completeness [%] | 97.1 |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | potassium phosphate, 1.6M sodium phosphate, pH 6.0, 800mM Ammonium fluoride, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
