1GA4
CRYSTAL STRUCTURE ANALYSIS OF PSCP (PSEUDOMONAS SERINE-CARBOXYL PROTEINASE) COMPLEXED WITH INHIBITOR PSEUDOIODOTYROSTATIN (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 | 2000-08-03 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 62 |
| Unit cell lengths | 97.630, 97.630, 83.300 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 - 1.400 |
| R-factor | 0.103 |
| Rwork | 0.118 |
| R-free | 0.15540 |
| Structure solution method | ISOMORPHOUS WITH 1GA1 |
| Starting model (for MR) | 1ga1 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 0.028 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.074 | 0.660 |
| Total number of observations | 529714 * | |
| Number of reflections | 88568 | |
| <I/σ(I)> | 23.3 | 2.3 |
| Completeness [%] | 99.9 | 99.3 * |
| Redundancy | 6 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 * | 293 | 5% guanidine, 7% glycerol, 5% methanol, 1 M ammoniumm sulfate, 0.1 M sodium citrate buffer pH 3.5, 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 | sodium chloride | 0.1 (M) | |
| 3 | 1 | drop | calcium chloride | 5 (mM) | |
| 4 | 1 | drop | sodium acetate | 50 (mM) | |
| 5 | 1 | reservoir | lithium sulfate | 1.4 (M) | |
| 6 | 1 | reservoir | Tris | 0.1 (M) |
