3GYM
Structure of Prostasin in Complex with Aprotinin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-02-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.659, 127.335, 134.689 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.342 - 2.800 |
R-factor | 0.2277 |
Rwork | 0.225 |
R-free | 0.27130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e1x |
RMSD bond length | 0.007 |
RMSD bond angle | 1.020 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.152 | 0.970 |
Number of reflections | 17060 | |
<I/σ(I)> | 9.2 | 1.6 |
Completeness [%] | 91.1 | 94.1 |
Redundancy | 5.1 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 1.6M potassium hydrogen phosphate, 0.4M sodium dihydrogen phosphate, 0.2M sodium chloride in an imidazole buffer at pH 8.0., VAPOR DIFFUSION, SITTING DROP, temperature 293K |