2WCF
calcium-free (apo) S100A12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 120 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.185, 93.197, 144.532 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.340 - 2.780 |
| R-factor | 0.248 |
| Rwork | 0.244 |
| R-free | 0.32300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wce |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.906 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0082) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.070 | 0.260 |
| Number of reflections | 15762 | |
| <I/σ(I)> | 24.3 | 4.7 |
| Completeness [%] | 94.3 | 70.8 |
| Redundancy | 6.6 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 25% PEG1500, 0.1M MMT PH6.0 |
