Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-18 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.109, 59.377, 236.967 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.500 |
R-factor | 0.18 |
Rwork | 0.178 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f5v 3RVV |
RMSD bond length | 0.015 |
RMSD bond angle | 1.479 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.088 | 0.596 |
Number of reflections | 23380 | |
<I/σ(I)> | 24.8 | 2.7 |
Completeness [%] | 92.6 | 87.6 |
Redundancy | 6.3 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 0.1M HEPES, 10% W/V PEG4000, 0.05M GLYGLYGLY, PH 7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |