3VPK
Crystal Structure of 6-Guanidinohexanoyl Trypsin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING8 BEAMLINE BL47XU |
| Synchrotron site | SPring-8 |
| Beamline | BL47XU |
| Temperature [K] | 116 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-12-13 |
| Detector | RIGAKU RAXIS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.779, 61.050, 69.664 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.610 - 1.940 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.278 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.960 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.081 | 0.317 |
| Number of reflections | 20650 | |
| <I/σ(I)> | 8.5 | |
| Completeness [%] | 99.5 | 99.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | protein solution: 20mg/mL trypsin, 400mM benzamidine, 6.80mM calcium dichloride, 0.1M HEPES, pH 7.2, reservoir solution: 2.8M ammonium sulfate, 0.1M HEPES, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
