1IT6
CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN CALYCULIN A AND THE CATALYTIC SUBUNIT OF PROTEIN PHOSPHATASE 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2001-03-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 98.090, 136.360, 61.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.182 * |
| Rwork | 0.182 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fjm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.430 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | AMoRE |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.078 | 0.390 |
| Total number of observations | 536140 * | |
| Number of reflections | 56530 | |
| <I/σ(I)> | 17.1 | 2.2 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 6.2 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 20 * | PEG3350, POTASSIUM SULFATE, MANGANESE(II) CHLORIDE, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7.4 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | pH7.8 |
| 3 | 1 | drop | 0.3 (M) | ||
| 4 | 1 | drop | 0.2 (mM) | ||
| 5 | 1 | drop | dithiothreitol | 3 (mM) | |
| 6 | 1 | reservoir | Tris-HCl | 10 (mM) | pH7.8 |
| 7 | 1 | reservoir | PEG3350 | 20 (%) | |
| 8 | 1 | reservoir | potassium sulfate | 0.2 (M) |
