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 |