7QC9
HisF-C9A-D11E-V33A_L50H_I52H mutant in complex with Ni(II) from T. maritima
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-08-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 97.040, 97.040, 154.850 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.1546 |
| Rwork | 0.153 |
| R-free | 0.18930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7qc3 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.268 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.063 | 0.639 |
| Number of reflections | 40563 | 5948 |
| <I/σ(I)> | 19.4 | 3 |
| Completeness [%] | 99.9 | |
| Redundancy | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 292 | 100 mM TRIS, 23% PEG 3350 |
