Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.803, 61.764, 223.771 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.500 - 1.950 |
R-factor | 0.158 |
Rwork | 0.156 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENTRIES 3F5V 3RVV |
RMSD bond length | 0.018 |
RMSD bond angle | 1.580 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.086 | 0.535 |
Number of reflections | 47483 | |
<I/σ(I)> | 26 | 3.7 |
Completeness [%] | 92.9 | 89.5 |
Redundancy | 6.8 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 293 | 0.1M NA CACODYLATE, 15% W/V PEG4000, PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |