1DPJ
THE STRUCTURE OF PROTEINASE A COMPLEXED WITH IA3 PEPTIDE INHIBITOR
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 | 1999-09-03 |
| Detector | ADSC QUANTUM |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 191.660, 191.660, 52.080 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.2055 * |
| Rwork | 0.192 |
| R-free | 0.21300 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.840 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.074 | 0.629 * |
| Number of reflections | 53659 | |
| <I/σ(I)> | 24 | |
| Completeness [%] | 98.9 | 99.1 * |
| Redundancy | 6.6 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 * | 298 | PEG 1500, Ammounia Sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | reservoir | PEG1500 | 28 (%) | |
| 3 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 4 | 1 | reservoir | MES | 0.1 (M) | |
| 5 | 1 | drop | MES | 20 (mM) |
