4Y41
Endothiapepsin in complex with fragment 112
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 | 2013-01-23 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.359, 72.846, 52.755 |
| Unit cell angles | 90.00, 109.56, 90.00 |
Refinement procedure
| Resolution | 29.380 - 1.403 |
| R-factor | 0.1169 |
| Rwork | 0.115 |
| R-free | 0.15140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pcw |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.168 |
| 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] | 42.740 | 1.490 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.396 | |
| Number of reflections | 62976 | |
| <I/σ(I)> | 22.5 | 3.78 |
| Completeness [%] | 99.6 | 98.6 |
| 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 |
