2WCE
calcium-free (apo) S100A12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | H 3 |
| Unit cell lengths | 77.516, 77.516, 99.076 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.560 - 1.770 |
| R-factor | 0.165 |
| Rwork | 0.163 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k9p |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.368 |
| 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] | 55.600 | |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.070 | 0.640 |
| Number of reflections | 21533 | |
| <I/σ(I)> | 22.7 | 2.07 |
| Completeness [%] | 99.0 | 99.1 |
| Redundancy | 5.6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 1.4M NA-CITRATE, PH 7.5 |
