4F3A
Structure of RPE65: P6522 crystal form, iridium derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0952 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 178.639, 178.639, 86.469 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.440 - 2.600 |
R-factor | 0.18734 |
Rwork | 0.185 |
R-free | 0.22868 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.354 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SHELXCD |
Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.750 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.105 | 0.898 |
Number of reflections | 25186 | |
<I/σ(I)> | 19 | 2.15 |
Completeness [%] | 98.7 | 91.8 |
Redundancy | 10.6 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 281 | 11% PEG3350, pH 8, crystal soaked in 1 mM iridium hexachloride, VAPOR DIFFUSION, SITTING DROP, temperature 281K |