4Y4G
Endothiapepsin in complex with fragment B53
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-08-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918409 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.212, 73.111, 52.579 |
Unit cell angles | 90.00, 109.25, 90.00 |
Refinement procedure
Resolution | 42.685 - 1.439 |
R-factor | 0.122 |
Rwork | 0.120 |
R-free | 0.15910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pcw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.283 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.685 | 1.530 |
High resolution limit [Å] | 1.439 | 1.440 |
Rmerge | 0.606 | |
Number of reflections | 57252 | |
<I/σ(I)> | 12.19 | |
Completeness [%] | 97.8 | 95.9 |
Redundancy | 3.87 | 3.94 |
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 400, crystals obtained by streak seeding |