4QAO
Lysine-ligated cytochrome c with F82H
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-11 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0781 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 105.960, 105.960, 149.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.520 - 2.103 |
| R-factor | 0.18484 |
| Rwork | 0.183 |
| R-free | 0.22318 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4q5p |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.979 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.520 | 3.590 | 2.220 |
| High resolution limit [Å] | 2.103 | 3.130 | 2.103 |
| Number of reflections | 25155 | ||
| <I/σ(I)> | 39.39 | 60.13 | 8.48 |
| Completeness [%] | 99.5 | 100 | 98.2 |
| Redundancy | 29.1 | 29.3 | 29.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 28% w/v PEG, 0.3 M ammonium phosphate, 0.1 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
