1K94
Crystal structure of des(1-52)grancalcin with bound calcium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-11-12 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97945 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.120, 71.130, 77.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.700 |
Rwork | 0.203 |
R-free | 0.22890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f4q |
RMSD bond length | 0.005 |
RMSD bond angle | 1.020 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.078 | 0.332 |
Number of reflections | 30676 | |
<I/σ(I)> | 11.1 | |
Completeness [%] | 91.1 | 82.4 |
Redundancy | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6 | 293 | PEG 8000, Calcium acetate, sodium cacodylate, pH 6.0, EVAPORATION at 293K |