3C1V
The 1.5 A Crystal structure of Ca2+-bound S100A4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-09-24 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.931 |
Spacegroup name | P 32 |
Unit cell lengths | 52.320, 52.320, 139.140 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.310 - 1.500 |
R-factor | 0.19627 |
Rwork | 0.195 |
R-free | 0.21796 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mho |
RMSD bond length | 0.006 |
RMSD bond angle | 0.965 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.590 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.102 | 0.448 |
Number of reflections | 68427 | |
<I/σ(I)> | 9.46 | 3.14 |
Completeness [%] | 99.5 | 98.9 |
Redundancy | 3.75 | 3.69 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 293 | 40% PEG600, 0.1M CHES, pH9.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |