3Q9B
Crystal Structure of APAH complexed with M344
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 | 2009-10-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 |
| Unit cell lengths | 118.657, 119.734, 119.526 |
| Unit cell angles | 98.09, 95.15, 115.33 |
Refinement procedure
| Resolution | 50.000 - 2.250 |
| R-factor | 0.1707 |
| Rwork | 0.171 |
| R-free | 0.20180 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3q9f |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.214 |
| 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 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.096 | 0.326 |
| Number of reflections | 270384 | |
| <I/σ(I)> | 14.792 | 2.853 |
| Completeness [%] | 98.4 | 97.2 |
| Redundancy | 3.6 | 2.6 |
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 |
