5DR3
Endothiapepsin in complex with fragment 333
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 | 2014-01-22 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.895 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.288, 73.032, 52.829 |
| Unit cell angles | 90.00, 109.50, 90.00 |
Refinement procedure
| Resolution | 20.926 - 1.240 |
| R-factor | 0.1134 |
| Rwork | 0.112 |
| R-free | 0.13260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pcw |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.219 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1492) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.700 | 1.310 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.433 | |
| Number of reflections | 91107 | |
| <I/σ(I)> | 20.3 | 3.3 |
| Completeness [%] | 99.2 | 97.8 |
| Redundancy | 4.2 | 4.1 |
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 |
