6UIZ
Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 57.750, 57.750, 184.499 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.370 - 1.850 |
| R-factor | 0.1863 |
| Rwork | 0.184 |
| R-free | 0.23350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qcb |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.994 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.370 | 37.340 | 1.890 |
| High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
| Rmerge | 0.223 | 0.064 | 1.396 |
| Rmeas | 0.234 | 0.068 | 1.461 |
| Rpim | 0.070 | 0.022 | 0.425 |
| Number of reflections | 13859 | 155 | 827 |
| <I/σ(I)> | 10.1 | 24.7 | 2.3 |
| Completeness [%] | 99.9 | 98.5 | 100 |
| Redundancy | 10.9 | 9.2 | 11.3 |
| CC(1/2) | 0.996 | 0.997 | 0.793 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 26 mg/mL, 2.0 M ammonium sulfate, 0.1 M sodium acetate pH 4 |
