3NXA
X-ray structure of the apo form of human S100A16
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-28 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.00600 |
| Spacegroup name | P 61 |
| Unit cell lengths | 156.571, 156.571, 38.138 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.150 - 2.100 |
| R-factor | 0.25233 |
| Rwork | 0.248 |
| R-free | 0.29843 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Previously solved low resolution SAD structure |
| RMSD bond length | 0.073 |
| RMSD bond angle | 4.450 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.092 | 0.339 |
| Number of reflections | 29230 | |
| <I/σ(I)> | 17.1 | 3.3 |
| Completeness [%] | 91.6 | 79.4 |
| Redundancy | 11.7 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 293 | 0.2 M tri-sodium potassium citrate, 20% PEG 3350, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
