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 | 2011-10-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97912 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.743, 73.263, 200.340 |
Unit cell angles | 90.00, 91.09, 90.00 |
Refinement procedure
Resolution | 50.000 - 3.000 |
R-factor | 0.221 |
Rwork | 0.219 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f5v 3rvt |
RMSD bond length | 0.009 |
RMSD bond angle | 1.247 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.050 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.165 | 0.653 |
Number of reflections | 28001 | |
<I/σ(I)> | 10 | 2.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.1 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100 MM MES, 10% W/V PEG 6000, 5% MPD, PH 7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |