3DFL
Crystal structure of human Prostasin complexed to 4-guanidinobenzoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-04-15 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.498, 54.846, 83.279 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.790 - 2.000 |
R-factor | 0.176 |
Rwork | 0.173 |
R-free | 0.22500 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.164 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.2.0019) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.081 | 0.030 | 0.337 |
Number of reflections | 17151 | ||
<I/σ(I)> | 9 | ||
Completeness [%] | 99.8 | 98.3 | 99.9 |
Redundancy | 4.3 | 4.1 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.8 | 298 | 100mM Bis-Tris pH 5.8, 21-26% PEG 3350, VAPOR DIFFUSION, temperature 298K |