5OM7
Crystal structure of Alpha1-antichymotrypsin variant DBS-II: a drug-binding serpin for doxorubicin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-15 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 84.463, 84.463, 98.322 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.231 - 1.727 |
| R-factor | 0.1907 |
| Rwork | 0.188 |
| R-free | 0.23480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.268 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.231 | 1.830 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmeas | 0.066 | 0.936 |
| Number of reflections | 42863 | 6786 |
| <I/σ(I)> | 18.1 | 2.4 |
| Completeness [%] | 99.6 | 98.8 |
| Redundancy | 8.2 | 8.4 |
| CC(1/2) | 0.999 | 0.893 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M ammonium chloride, 20 % w/v PEG 3350 |
