6IU9
Crystal structure of cytoplasmic metal binding domain with iron ions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.740 |
| Spacegroup name | P 31 |
| Unit cell lengths | 85.321, 85.321, 97.573 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.660 - 3.000 |
| R-factor | 0.1947 |
| Rwork | 0.192 |
| R-free | 0.26490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6iu5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.463 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.661 | 42.665 | 3.107 |
| High resolution limit [Å] | 3.000 | 6.457 | 3.000 |
| Rmerge | 0.210 | 0.117 | 3.315 |
| Rmeas | 0.234 | ||
| Rpim | 0.103 | ||
| Total number of observations | 81761 | ||
| Number of reflections | 15910 | 1583 | 1585 |
| <I/σ(I)> | 5.9655 | 9.5701 | 1.6638 |
| Completeness [%] | 100.0 | ||
| Redundancy | 5.139 | 5.2003 | 4.9565 |
| CC(1/2) | 0.985 | 0.984 | 0.099 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 21-23% PEG600, 0.1 M HEPES pH7.0 and 0.001-0.003 M zinc cloride |
