4Y37
Endothiapepsin in complex with fragement 305
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 | 2013-07-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.398, 73.139, 52.909 |
| Unit cell angles | 90.00, 109.43, 90.00 |
Refinement procedure
| Resolution | 19.200 - 1.690 |
| R-factor | 0.1832 |
| Rwork | 0.181 |
| R-free | 0.21650 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3pcw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.045 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | PHENIX (dev_1779) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.210 | 1.790 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.485 | |
| Number of reflections | 36243 | |
| <I/σ(I)> | 12.1 | 2.5 |
| Completeness [%] | 98.4 | 93.4 |
| Redundancy | 3.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 290 | 0.1 M ammonium acetate, 0.1M sodium acetate, 24-30% PEG 4000 crystal obtained by streak-seeding |
