1IBC
CRYSTAL STRUCTURE OF INHIBITED INTERLEUKIN-1BETA CONVERTING ENZYME
Experimental procedure
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-04-09 |
| Detector | SIEMENS |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 64.610, 64.610, 160.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.730 |
| R-factor | 0.173 |
| Rwork | 0.173 |
| R-free | 0.28500 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | ICE INHIBITED BY ACE-YVAD-CHO |
| RMSD bond length | 0.008 |
| RMSD bond angle | 24.000 * |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| High resolution limit [Å] | 2.730 * | 2.730 * |
| Rmerge | 0.047 | |
| Total number of observations | 26257 * | |
| Number of reflections | 8445 | |
| Completeness [%] | 87.0 | |
| Redundancy | 2.96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 | 1.5 ML DROPS OF PROTEIN-INHIBITOR SOLUTION (5.0 MG/ML IN 10 MILLIMOLAR TRIS-HCL, PH 8.5, 10 MILLI-MOLAR DTT, 3 MILLIMOLAR SODIUM AZIDE) WERE MIXED WITH AN EQUAL VOLUME OF RESERVOIR BUFFER (7.2% PEG-6000 (W:W), 0.10 M PIPES PH 5.8, 10 MILLIMOLAR DTT, 3 MILLIMOLAR SODIUM AZIDE) AND INCUBATED AT ROOM TEMPERATURE. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5.0 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | |
| 3 | 1 | drop | dithiothreitol | 10 (mM) | |
| 4 | 1 | drop | 3 (mM) | ||
| 5 | 1 | reservoir | PEG6000 | 7.2 (%(w/w)) | |
| 6 | 1 | reservoir | PIPES | 0.10 (M) | |
| 7 | 1 | reservoir | dithiothreitol | 10 (mM) | |
| 8 | 1 | reservoir | 3 (mM) |
