6DWF
Crystal structure of complex of BBKI mutant, L55R with 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 | 2017-11-15 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 64 |
| Unit cell lengths | 207.303, 207.303, 107.167 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.790 - 1.940 |
| R-factor | 0.19662 |
| Rwork | 0.196 |
| R-free | 0.22294 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4na1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.439 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.092 | 1.183 |
| Rmeas | 0.081 | 1.412 |
| Rpim | 0.024 | 0.795 |
| Number of reflections | 189147 | 7121 |
| <I/σ(I)> | 26.5 | |
| Completeness [%] | 98.2 | 74.1 |
| Redundancy | 10.1 | 2.3 |
| CC(1/2) | 0.955 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.6M Ammonium Sulfate, 0.1M Sodium Citrate at pH 4.2 |
