1KA4
Structure of Pyrococcus furiosus carboxypeptidase Nat-Pb
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-01-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 132.300, 67.582, 67.185 |
| Unit cell angles | 90.00, 95.20, 90.00 |
Refinement procedure
| Resolution | 19.750 - 3.000 |
| R-factor | 0.2363 |
| Rwork | 0.236 |
| R-free | 0.27600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.329 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.190 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.051 | 0.217 * |
| Total number of observations | 164344 * | |
| Number of reflections | 14993 | |
| <I/σ(I)> | 22 | |
| Completeness [%] | 95.0 | 89.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 4 * | PEG 4000, TRIS, magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 19 (mg/ml) | |
| 2 | 1 | drop | Tris | 50 (mM) | pH8.0 |
| 3 | 1 | drop | glycerol | 10 (%) | |
| 4 | 1 | reservoir | PEG4000 | 25-30 (%) | |
| 5 | 1 | reservoir | Tris | 100 (mM) | pH8.5 |
| 6 | 1 | reservoir | 20-40 (mM) |
