1K8U
CRYSTAL STRUCTURE OF CALCIUM-FREE (OR APO) HUMAN S100A6; CYS3MET MUTANT (SELENOMETHIONINE DERIVATIVE)
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-D |
Synchrotron site | APS |
Beamline | 14-BM-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-12-07 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.02046, 0.97997, 0.94286 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 37.259, 48.113, 83.473 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.150 |
R-factor | 0.186 |
Rwork | 0.186 |
R-free | 0.22000 * |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 2.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.240 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmerge | 0.061 | 0.267 |
Total number of observations | 399427 * | |
Number of reflections | 25856 * | |
<I/σ(I)> | 11.7 | |
Completeness [%] | 88.2 * | 87.6 |
Redundancy | 14.8 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 * | 20 * | 28% PEG 1500, 30mM sodium cacodylate, 6% glycerol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 * | 20 * | 28% PEG 1500, 30mM sodium cacodylate, 6% glycerol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 * | 20 * | 28% PEG 1500, 30mM sodium cacodylate, 6% glycerol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | sodium cacodylate | 5 (mM) | pH6.5 |
2 | 1 | drop | beta-mercaptoethanol | 2.5 (mM) | |
3 | 1 | drop | L-cysteine | 4 (mM) | |
4 | 1 | drop | EGTA | 2 (mM) | |
5 | 1 | drop | protein | 20 (mg/ml) | |
6 | 1 | reservoir | PEG1500 | 28 (%) | |
7 | 1 | reservoir | sodium cacodylate | 30 (mM) | pH7.0 |
8 | 1 | reservoir | glycerol | 6 (%) |