5DQ4
Endothiapepsin in complex with fragment 66
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 | 2012-11-16 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8912 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.128, 72.766, 52.596 |
| Unit cell angles | 90.00, 109.65, 90.00 |
Refinement procedure
| Resolution | 16.511 - 1.150 |
| R-factor | 0.1115 |
| Rwork | 0.111 |
| R-free | 0.12990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pcw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.282 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1492) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.500 | 1.220 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.261 | |
| Number of reflections | 111456 | |
| <I/σ(I)> | 21.36 | 5.14 |
| Completeness [%] | 98.2 | 91.8 |
| Redundancy | 4.07 | 3.68 |
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 |
