6VO9
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 | 57.861, 57.861, 184.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.190 - 1.500 |
| R-factor | 0.1871 |
| Rwork | 0.186 |
| R-free | 0.21080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qcb |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.872 |
| 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] | 46.160 | 46.160 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.082 | 0.058 | 0.705 |
| Rmeas | 0.089 | 0.063 | 0.775 |
| Rpim | 0.035 | 0.023 | 0.312 |
| Total number of observations | 139854 | 1437 | 5173 |
| Number of reflections | 21730 | 190 | 953 |
| <I/σ(I)> | 11.6 | 23.3 | 1.9 |
| Completeness [%] | 84.5 | 94.9 | 75.3 |
| Redundancy | 6.4 | 7.6 | 5.4 |
| CC(1/2) | 0.993 | 0.993 | 0.807 |
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 |
