3QTL
Structural Basis for Dual-inhibition Mechanism of a Non-classical Kazal-type Serine Protease Inhibitor from Horseshoe Crab in Complex with Subtilisin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 298 |
| Collection date | 2007-09-29 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.840, 65.072, 111.909 |
| Unit cell angles | 90.00, 95.44, 90.00 |
Refinement procedure
| Resolution | 14.901 - 2.600 |
| R-factor | 0.2036 |
| Rwork | 0.199 |
| R-free | 0.26910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sca |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.820 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 32884 | |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 6.3 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 11% (w/v) PEG 20000, 0.1M 2-(N-morpholino)ethanesulfonic acid (MES) pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
