2WC8
S100A12 complex with zinc in the absence of calcium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.991, 81.830, 85.725 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.880 |
| R-factor | 0.174 |
| Rwork | 0.171 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e8a |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.577 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0082) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.080 | 0.900 |
| Number of reflections | 30804 | |
| <I/σ(I)> | 17.1 | 1.8 |
| Completeness [%] | 98.8 | 98.3 |
| Redundancy | 5 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2M TRI-AMMONIIUM CITRATE PH 7.0, 34% PEG 3350 MME |
