2WCB
S100A12 complex with zinc in the absence of calcium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 83.696, 83.743, 155.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.850 - 1.730 |
| R-factor | 0.228 |
| Rwork | 0.226 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e8a |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.830 |
| 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] | 77.800 | |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.080 | 0.720 |
| Number of reflections | 28275 | |
| <I/σ(I)> | 17.1 | 1.7 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 5.1 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 34% PEG 3350, MME, 0.2M TRI AMMONIUM CITRATE PH 7.0 |
