4HSZ
Structure of truncated (delta8C) S100A4
Experimental procedure
| Experimental method | SINGLE WAWELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 |
| Unit cell lengths | 28.802, 34.356, 95.313 |
| Unit cell angles | 95.49, 95.29, 114.82 |
Refinement procedure
| Resolution | 46.926 - 2.250 |
| R-factor | 0.2307 |
| Rwork | 0.228 |
| R-free | 0.27720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q91 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.984 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 6.100 | 2.250 |
| Rmerge | 0.063 | 0.029 | 0.422 |
| Number of reflections | 14935 | ||
| <I/σ(I)> | 11.2 | ||
| Completeness [%] | 96.4 | 96.3 | 94.1 |
| Redundancy | 2.1 | 2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES pH 7.0, Magnesium chloride, 15% PEG 4000, Vapor diffusion, Sitting drop, temperature 298K |
