5K89
Crystal Structure of Human Calcium-Bound S100A1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1271 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 53.547, 53.547, 193.387 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.644 - 2.249 |
R-factor | 0.2754 |
Rwork | 0.275 |
R-free | 0.29050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2y5i |
RMSD bond length | 0.009 |
RMSD bond angle | 0.959 |
Data reduction software | autoXDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | BALBES |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.644 | 2.500 |
High resolution limit [Å] | 2.250 | 2.370 |
Rmerge | 1.538 | |
Number of reflections | 14767 | |
<I/σ(I)> | 14.45 | 0.5 |
Completeness [%] | 92.0 | 83 |
Redundancy | 5.1 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | PEG 8000, calcium chloride, cacodylate |