3CHI
Crystal Structure of Di-iron AurF (Monoclinic form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97869 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.425, 73.316, 74.695 |
| Unit cell angles | 90.00, 100.92, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.100 |
| R-factor | 0.22324 |
| Rwork | 0.220 |
| R-free | 0.27729 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3chh |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.428 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 34325 | |
| <I/σ(I)> | 22.3 | 4.4 |
| Completeness [%] | 99.5 | 98.8 |
| Redundancy | 3.9 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 280 | 18-22% PEG 8000, 50 mM Tris-HCl pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 280K |
