3NPS
Crystal structure of membrane-type serine protease 1 (MT-SP1) in complex with the Fab Inhibitor S4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-01 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.161, 83.988, 101.394 |
| Unit cell angles | 90.00, 91.45, 90.00 |
Refinement procedure
| Resolution | 28.640 - 1.500 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES: 3BN9 2jb5 3kdm |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.606 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.393 | 1.460 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.058 | 0.176 |
| Number of reflections | 88531 | |
| <I/σ(I)> | 16 | 8 |
| Completeness [%] | 84.5 | 80 |
| Redundancy | 3.7 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 298 | 50 mM Tris, 100 mM NaCl, 5% glycerol, no buffer was added for crystallization, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
