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 |