2EGD
Crystal structure of human S100A13 in the Ca2+-bound state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.774, 59.287, 77.624 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.140 - 1.800 |
| R-factor | 0.19732 |
| Rwork | 0.195 |
| R-free | 0.23418 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xk4 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.467 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 17786 | |
| <I/σ(I)> | 31.5 | 3.4 |
| Completeness [%] | 99.1 | 93 |
| Redundancy | 6.9 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 22% PEG 3350, 0.1M HEPES-NaOH (pH 7.5), 0.2M NaCl, 1.5% 1,2,3-heptanetriol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
