6IU8
Crystal structure of cytoplasmic metal binding domain with cobalt 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 | 2017-07-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.6050 |
| Spacegroup name | P 31 |
| Unit cell lengths | 85.503, 85.503, 98.355 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.720 - 2.700 |
| R-factor | 0.1608 |
| Rwork | 0.158 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6iu5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.575 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.720 | 19.720 | 2.830 |
| High resolution limit [Å] | 2.700 | 8.960 | 2.700 |
| Rmerge | 0.131 | 0.082 | 0.740 |
| Rmeas | 0.138 | 0.087 | 0.778 |
| Rpim | 0.042 | 0.027 | 0.239 |
| Total number of observations | 230049 | 5826 | 31126 |
| Number of reflections | 22053 | 555 | 2965 |
| <I/σ(I)> | 11.2 | 23 | 3 |
| Completeness [%] | 99.7 | 90.8 | 100 |
| Redundancy | 10.4 | 10.5 | 10.5 |
| CC(1/2) | 0.997 | 0.996 | 0.761 |
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 |
