1GA1
CRYSTAL STRUCTURE ANALYSIS OF PSCP (PSEUDOMONAS SERINE-CARBOXYL PROTEINASE) COMPLEXED WITH A FRAGMENT OF IODOTYROSTATIN (THIS ENZYME RENAMED "SEDOLISIN" IN 2003)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-05-03 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 62 |
| Unit cell lengths | 97.190, 97.190, 83.370 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.400 |
| R-factor | 0.108 |
| Rwork | 0.113 |
| R-free | 0.13580 |
| Structure solution method | SINGLE-WAVELENGTH ANOMALOUS DIFFRACTION |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.029 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.036 | 0.216 |
| Total number of observations | 677827 * | |
| Number of reflections | 87947 | |
| <I/σ(I)> | 50.2 | 7 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 7.7 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 * | 293 | 0.1 M sodium chloride, 5 mM calcium chloride, 1.4 M lithium sulfate, 0.1 M Tris buffer pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | 0.1 (M) | ||
| 3 | 1 | drop | 5 (mM) | ||
| 4 | 1 | drop | sodium acetate | 50 (mM) | |
| 5 | 1 | reservoir | lithium sulfate | 1.4 (M) | |
| 6 | 1 | reservoir | Tris | 0.1 (M) |
