3Q9F
Crystal Structure of APAH complexed with CAPS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 |
| Unit cell lengths | 118.252, 119.651, 119.571 |
| Unit cell angles | 98.34, 94.94, 114.95 |
Refinement procedure
| Resolution | 50.000 - 2.350 |
| R-factor | 0.1886 |
| Rwork | 0.189 |
| R-free | 0.22530 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | A lower resolution model solved by SAD phasing. |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.274 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.099 | 0.600 |
| Number of reflections | 220139 | |
| <I/σ(I)> | 14.486 | 2.5 |
| Completeness [%] | 91.1 | 97.6 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 1.0 M sodium phosphate, 0.8 M potassium phosphate, 0.2 M lithium sulfate, 0.1 M CAPS pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
