4Y3D
Endothiapepsin in complex with fragment 321
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 | 2014-02-14 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.89440 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.241, 72.909, 52.628 |
| Unit cell angles | 90.00, 109.43, 90.00 |
Refinement procedure
| Resolution | 28.065 - 1.482 |
| R-factor | 0.1189 |
| Rwork | 0.117 |
| R-free | 0.15700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3pcw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.184 |
| Data reduction software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1492) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.670 | 1.570 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.539 | |
| Number of reflections | 53444 | |
| <I/σ(I)> | 16.2 | 2.7 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 290 | 0.1M ammonium acetate, 0.1M sodium acetate, 50% PEG 4000 |
