6DWH
Crystal structure of complex of BBKI and Bovine Trypsin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-14 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 64 |
| Unit cell lengths | 207.809, 207.809, 107.167 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.910 - 2.000 |
| R-factor | 0.19024 |
| Rwork | 0.190 |
| R-free | 0.22282 |
| Structure solution method | SAD |
| Starting model (for MR) | 6dwf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.382 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.108 | 1.430 |
| Rpim | 0.041 | 0.893 |
| Number of reflections | 169571 | 6265 |
| <I/σ(I)> | 14.4 | 0.69 |
| Completeness [%] | 96.5 | 71.6 |
| Redundancy | 5.6 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.6M Ammonium Sulfate 0.1M Sodium Citrate |
