4O8U
Structure of PF2046
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2009-05-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 0.9794 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 218.381, 125.640, 94.044 |
Unit cell angles | 90.00, 102.86, 90.00 |
Refinement procedure
Resolution | 36.068 - 2.345 |
R-factor | 0.2022 |
Rwork | 0.201 |
R-free | 0.23780 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.439 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHARP |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.400 |
High resolution limit [Å] | 2.345 | 2.340 |
Number of reflections | 88068 | |
Completeness [%] | 85.0 | 85 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 289 | 20% PEG 4000, 20% (v/v) 2-propanol, 0.1M sodium citrate, 0.1M sodium acetate pH 5.0, 0.1M sodium chloride, 10% (w/v) MPD, VAPOR DIFFUSION, HANGING DROP, temperature 289K |