1J1E
Crystal structure of the 52kDa domain of human cardiac troponin in the Ca2+ saturated form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2001-02-23 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.299, 169.506, 68.538 |
Unit cell angles | 90.00, 102.38, 90.00 |
Refinement procedure
Resolution | 20.000 - 3.300 |
Rwork | 0.251 |
R-free | 0.30800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdb_entry 1J1D |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.420 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.052 | 0.332 |
Total number of observations | 61673 * | |
Number of reflections | 16101 | |
<I/σ(I)> | 9.1 | |
Completeness [%] | 98.7 * | 88.8 * |
Redundancy | 3.84 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PEG3350, lithium chloride, Tris-HCl, calcium chloride, glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG3350 | 20 (%) | |
2 | 1 | reservoir | glycerol | 15 (%) | |
3 | 1 | reservoir | 0.1 (M) | ||
4 | 1 | reservoir | Tris-HCl | 50 (mM) | |
5 | 1 | reservoir | 5 (mM) | or SrCl2, pH8. | |
6 | 1 | drop | protein | 10 (mg/ml) |