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 |