4Y4D
Endothiapepsin in complex with fragment B51
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 | 45.300, 72.936, 52.508 |
Unit cell angles | 90.00, 109.14, 90.00 |
Refinement procedure
Resolution | 42.795 - 1.269 |
R-factor | 0.1188 |
Rwork | 0.117 |
R-free | 0.14490 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.201 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.796 | 1.350 |
High resolution limit [Å] | 1.269 | 1.270 |
Rmerge | 0.560 | |
Number of reflections | 84800 | |
<I/σ(I)> | 14.21 | |
Completeness [%] | 99.6 | 99.3 |
Redundancy | 3.74 | 3.64 |
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 |