3M0W
Structure of S100A4 with PCP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.577, 102.275, 117.370 |
| Unit cell angles | 90.00, 92.60, 90.00 |
Refinement procedure
| Resolution | 24.980 - 2.800 |
| R-factor | 0.254 |
| Rwork | 0.252 |
| R-free | 0.30200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q91 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.212 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.530 | 2.800 |
| Rmerge | 0.065 | 0.036 | 0.540 |
| Number of reflections | 31659 | ||
| <I/σ(I)> | 11.9 | ||
| Completeness [%] | 99.6 | 95.1 | 100 |
| Redundancy | 3.2 | 3.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2 M Ammonium sulfate, 0.1M Tris pH 7.5, 20% PEG MME 5K, Vapor diffusion, Sitting drop, temperature 298K |
