4Y3L
Endothiapepsin in complex with fragment 205
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.3 |
| Synchrotron site | BESSY |
| Beamline | 14.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-18 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.894400 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.200, 72.860, 52.576 |
| Unit cell angles | 90.00, 109.47, 90.00 |
Refinement procedure
| Resolution | 29.355 - 1.160 |
| R-factor | 0.1171 |
| Rwork | 0.116 |
| R-free | 0.13200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pcw |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.229 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1779) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.615 | 1.230 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Rmerge | 0.345 | |
| Number of reflections | 108943 | |
| <I/σ(I)> | 17.43 | 3.23 |
| Completeness [%] | 97.9 | 87.9 |
| Redundancy | 3.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 290 | 0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000, crystals obtained by streak-seeding |
