6Q2U
Structure of Cytochrome C4 from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-31 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9201 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 61.408, 61.408, 173.262 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.120 - 1.850 |
| R-factor | 0.1806 |
| Rwork | 0.178 |
| R-free | 0.21610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m70 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.751 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.120 | 39.120 | 1.890 |
| High resolution limit [Å] | 1.850 | 9.050 | 1.850 |
| Rmerge | 0.149 | 0.096 | 2.120 |
| Rmeas | 0.154 | 0.099 | 2.189 |
| Rpim | 0.037 | 0.025 | 0.539 |
| Total number of observations | 316544 | 2776 | 16413 |
| Number of reflections | 17508 | 211 | 1029 |
| <I/σ(I)> | 11.1 | 24.8 | 1.3 |
| Completeness [%] | 100.0 | 98.8 | 99.4 |
| Redundancy | 18.1 | 13.2 | 16 |
| CC(1/2) | 0.994 | 0.997 | 0.743 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 296.15 | 0.2 M sodium chloride, 0.1 M sodium phosphate/citrate buffer pH 4.2, 18% PEG 8000 |
