3NCL
Crystal Structure of MT-SP1 bound to Benzamidine Phosphonate Inhibitor
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] | 193 |
| Detector technology | CCD |
| Collection date | 2009-07-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.11587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 74.915, 80.240, 40.539 |
| Unit cell angles | 90.00, 95.82, 90.00 |
Refinement procedure
| Resolution | 40.120 - 1.190 |
| R-factor | 0.1339 |
| Rwork | 0.133 |
| R-free | 0.15630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bn9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.398 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.3_473) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.600 | 1.250 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmerge | 0.065 | 0.015 |
| Number of reflections | 58355 | |
| <I/σ(I)> | 21 | 5 |
| Completeness [%] | 76.4 | |
| Redundancy | 6.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 4.0 M Na Formate, 25mM FeCl3, 20% glycerol cryoprotectant, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
