3KVR
Trapping of an oxocarbenium ion intermediate in UP crystals
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-16 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 82.416, 82.416, 258.592 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | ? - 2.600 |
R-factor | 0.169 |
Rwork | 0.167 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.173 |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 28268 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.3 | 295 | 18% PEG5K MME, 140 mM MgCl2, 100 mM MES, pH 6.3, vapor diffusion, hanging drop, temperature 295K |