6VOZ
Artificial Metalloproteins with Dinuclear Iron Centers
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 57.684, 57.684, 184.193 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.070 - 1.300 |
| R-factor | 0.1808 |
| Rwork | 0.179 |
| R-free | 0.20640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qcb |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.841 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.290 | 37.290 | 1.320 |
| High resolution limit [Å] | 1.300 | 7.120 | 1.300 |
| Rmerge | 0.071 | 0.046 | 1.447 |
| Rmeas | 0.074 | 0.048 | 1.509 |
| Rpim | 0.020 | 0.013 | 0.421 |
| Total number of observations | 517549 | 3508 | 23826 |
| Number of reflections | 38785 | 300 | 1888 |
| <I/σ(I)> | 19.2 | 49.5 | 1.5 |
| Completeness [%] | 99.9 | 99.1 | 99.2 |
| Redundancy | 13.3 | 11.7 | 12.6 |
| CC(1/2) | 0.999 | 0.998 | 0.792 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 298 | 2.0 M ammonium sulfate, 0.1 M sodium acetate |
