6G0J
Inactive Fe-PP1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-30 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.96770 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 38.622, 68.717, 127.901 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.810 - 2.100 |
| R-factor | 0.20281 |
| Rwork | 0.201 |
| R-free | 0.23640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mov |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.649 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.810 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.068 | 0.545 |
| Number of reflections | 19896 | 1662 |
| <I/σ(I)> | 12.9 | 2.3 |
| Completeness [%] | 97.3 | 98.9 |
| Redundancy | 4.1 | 4.2 |
| CC(1/2) | 0.998 | 0.806 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 28% w/v PEG 3350, 0.1 M TRIS-Cl,pH 8.0 RT, 1 M Lithium Chloride. |
