1H91
The crystal structure of lobster apocrustacyanin A1 using softer X-rays.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-08-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.650, 80.680, 110.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.000 - 1.400 |
| R-factor | 0.1766 |
| R-free | 0.22930 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.028 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.420 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.047 * | 0.117 |
| Total number of observations | 330300 * | |
| Number of reflections | 73302 | |
| <I/σ(I)> | 19.6 | 7.3 |
| Completeness [%] | 88.4 | 79.4 * |
| Redundancy | 8.01 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 291 | HANGING DROP, 18 DEGREES C, OVER RESERVOIR 0.1 M TRIS/HCL, PH 9.0, 5% MPD, 1MM EDTA, 1.9 M AMMONIUM SULPHATE. DROP MADE UP BY MIXING 1:1 PROTEIN SOLUTION (CONTAINING 20 MG/ML A1 SUBUNIT IN 0.1 M TRIS-HCL, PH 7.0, 1 MM EDTA) AND OF THE RESERVOIR SOLUTION. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
| 2 | 1 | reservoir | MPD | 5 (%) | |
| 3 | 1 | reservoir | EDTA | 1 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 1.9 (M) | |
| 5 | 1 | drop | protein | 20 (mg/ml) | |
| 6 | 1 | drop | Tris-HCl | 0.1 (M) | |
| 7 | 1 | drop | EDTA | 1 (mM) |
