1K95
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 | 2000-07-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 57.650, 57.650, 154.620 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.211 * |
| Rwork | 0.211 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f4q |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.960 |
| 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 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.061 | 0.230 |
| Total number of observations | 163585 * | |
| Number of reflections | 12769 | |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 99.9 | 99.3 |
| Redundancy | 12.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 293 | ammoniun sulfate, sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP at 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | Tris | 50 (mM) | pH7.5 |
| 3 | 1 | drop | EGTA | 5 (mM) | |
| 4 | 1 | reservoir | sodium acetate | 100 (mM) | pH4.5 |
| 5 | 1 | reservoir | ammonium sulfate | 0.7 (M) |
