4EPB
Final Urease Structure for Radiation Damage Experiment at 100 K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-24 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | .917 |
Spacegroup name | I 21 3 |
Unit cell lengths | 169.212, 169.212, 169.212 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.890 - 1.750 |
R-factor | 0.1726 |
Rwork | 0.171 |
R-free | 0.19680 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
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 | 1.780 |
High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
Rmerge | 0.048 | 0.032 | 0.639 |
Number of reflections | 80390 | ||
<I/σ(I)> | 17.5 | ||
Completeness [%] | 99.5 | 94.2 | 100 |
Redundancy | 4.4 | 4.4 | 4.4 |
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 |