4EPD
Initial Urease Structure for Radiation Damage Experiment at 300 K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 300 |
| Detector technology | CCD |
| Collection date | 2011-03-24 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | .917 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 170.765, 170.765, 170.765 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.630 - 1.700 |
| R-factor | 0.1453 |
| Rwork | 0.144 |
| R-free | 0.16410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | BUSTER (2.8.0) |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
| Rmerge | 0.070 | 0.056 | 0.600 |
| Number of reflections | 90349 | ||
| <I/σ(I)> | 12.9 | ||
| Completeness [%] | 99.9 | 98.7 | 100 |
| Redundancy | 5.2 | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | lithium sulfate, hepes, EDTA, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
