1GA6
CRYSTAL STRUCTURE ANALYSIS OF PSCP (PSEUDOMONAS SERINE-CARBOXYL PROTEINASE) COMPLEXED WITH A FRAGMENT OF TYROSTATIN (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 | 97.400, 97.400, 83.350 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 1.000 |
R-factor | 0.0994 |
Rwork | 0.123 |
R-free | 0.13080 |
Structure solution method | ISOMORPHOUS WITH 1GA1 |
Starting model (for MR) | 1ga1 |
RMSD bond length | 0.015 |
RMSD bond angle | 0.030 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 1.040 |
High resolution limit [Å] | 1.000 | 1.000 |
Rmerge | 0.054 | 0.477 |
Total number of observations | 2554920 * | |
Number of reflections | 202008 | |
<I/σ(I)> | 38.7 | 4.7 |
Completeness [%] | 84.0 | 100 * |
Redundancy | 10.6 | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 * | 293 | 5% guanidine, 7% glycerol, 5% methanol, 1.0 M ammonium sulfate, 0.1 M sodium citrate buffer pH 5.2, 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) |