6IU6
Crystal structure of cytoplasmic metal binding domain with nickel 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 | 2017-05-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.485 |
| Spacegroup name | P 31 |
| Unit cell lengths | 84.744, 84.744, 97.398 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.370 - 2.900 |
| R-factor | 0.1477 |
| Rwork | 0.145 |
| R-free | 0.21130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6iu5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.754 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.15) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.372 | 42.377 | 3.004 |
| High resolution limit [Å] | 2.900 | 6.242 | 2.900 |
| Rmerge | 0.126 | 0.098 | 0.306 |
| Rmeas | 0.140 | ||
| Rpim | 0.061 | ||
| Total number of observations | 8962 | ||
| Number of reflections | 17355 | 1743 | 1768 |
| <I/σ(I)> | 7.7505 | 10.3266 | 3.4761 |
| Completeness [%] | 100.0 | ||
| Redundancy | 5.1 | 5.187 | 4.9949 |
| CC(1/2) | 0.992 | 0.990 | 0.887 |
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 |
