3T2N
Human hepsin protease in complex with the Fab fragment of an inhibitory antibody
Experimental procedure
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-09-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9188 |
Spacegroup name | P 1 |
Unit cell lengths | 62.980, 66.580, 108.330 |
Unit cell angles | 88.71, 94.30, 104.53 |
Refinement procedure
Resolution | 47.330 - 2.550 |
R-factor | 0.2442 |
Rwork | 0.242 |
R-free | 0.27520 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.240 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.9.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.330 | 2.620 |
High resolution limit [Å] | 2.550 | 2.550 |
Number of reflections | 54655 | |
<I/σ(I)> | 7.96 | 2.13 |
Redundancy | 3.4 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 18% PEG 3350, 0.15 M MgSO4 and 0.01 M barium chloride, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |