5KKZ
Rhodobacter sphaeroides bc1 with famoxadone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-04 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 120.773, 128.277, 128.283 |
| Unit cell angles | 63.92, 88.63, 63.38 |
Refinement procedure
| Resolution | 29.981 - 2.970 |
| R-factor | 0.2161 |
| Rwork | 0.215 |
| R-free | 0.25830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2QJY chains A B and C only |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.339 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.11rc1_2513: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.030 |
| High resolution limit [Å] | 2.970 | 2.970 |
| Rmerge | 0.102 | 0.558 |
| Number of reflections | 122242 | |
| <I/σ(I)> | 6.2 | |
| Completeness [%] | 96.3 | 82.5 |
| Redundancy | 2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 7% PEG400, 200 mM histidine, 150 mM NaCl, 10 mM sodium ascorbate, famoxadone, b-OG, sucrose mono caparate |
