4U2L
Dithionite reduced cholesterol in complex with sulfite
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.375, 73.565, 63.431 |
| Unit cell angles | 90.00, 105.03, 90.00 |
Refinement procedure
| Resolution | 19.975 - 1.337 |
| R-factor | 0.1006 |
| Rwork | 0.097 |
| R-free | 0.13280 |
| Starting model (for MR) | 1mxt |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.380 |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 61.262 | 19.975 | 1.390 |
| High resolution limit [Å] | 1.320 | 4.170 | 1.320 |
| Rmerge | 0.128 | 1.166 | |
| Rmeas | 0.398 | ||
| Rpim | 0.115 | 0.042 | 0.372 |
| Total number of observations | 1209726 | 34689 | 83995 |
| Number of reflections | 100763 | ||
| <I/σ(I)> | 12.3 | 29.1 | 3 |
| Completeness [%] | 94.2 | 99 | 60.7 |
| Redundancy | 12 | 10.1 | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 293 | PEG 8000, manganese chloride, cacodylate |
