4Y5A
Endothiapepsin in complex with fragment 206
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 | 45.388, 72.875, 52.827 |
| Unit cell angles | 90.00, 109.60, 90.00 |
Refinement procedure
| Resolution | 26.835 - 1.450 |
| R-factor | 0.1209 |
| Rwork | 0.119 |
| R-free | 0.15670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.196 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1779) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.476 | |
| Number of reflections | 57009 | |
| <I/σ(I)> | 16.5 | 2.6 |
| Completeness [%] | 99.2 | 99.9 |
| Redundancy | 3.5 | 3.4 |
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 |
