1ODB
THE CRYSTAL STRUCTURE OF HUMAN S100A12 - COPPER COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 120 |
| Collection date | 2002-05-15 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 70.569, 118.957, 90.185 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.190 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e8a |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.353 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.270 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.073 | 0.360 |
| Number of reflections | 39556 | |
| <I/σ(I)> | 18.1 | 3.2 |
| Completeness [%] | 99.7 | 97.6 |
| Redundancy | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 5-7% PEG 5K MME, 250MM NACL, 5MM CACL2,1MM CUCL2,0.1M NA-CACODYLATE PH 6.5; HANGING-DROP VAPOUR DIFFUSION + SEEDING |
