4CFR
Ca-bound S100A4 C3S, C81S, C86S and F45W mutant complexed with non- muscle myosin IIA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-11 |
| Detector | ADSC CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 64.140, 64.140, 138.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.090 - 1.400 |
| R-factor | 0.161 |
| Rwork | 0.161 |
| R-free | 0.17520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zwh |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.152 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.100 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.060 | 0.760 |
| Number of reflections | 57504 | |
| <I/σ(I)> | 18.6 | 2.1 |
| Completeness [%] | 99.5 | 99.1 |
| Redundancy | 9 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 0.2 M AMMONIUM ACETATE, 0.1M SODIUM ACETATE PH4.6, 30% W/V PEG 4000 |
