5LWS
Endothiapepsin in complex with fragment 177 and a derivative thereof
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 | 2016-01-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918409 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.327, 73.095, 53.029 |
Unit cell angles | 90.00, 109.83, 90.00 |
Refinement procedure
Resolution | 36.547 - 1.030 |
R-factor | 0.1171 |
Rwork | 0.116 |
R-free | 0.13210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4y5l |
RMSD bond length | 0.007 |
RMSD bond angle | 1.009 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.204 | 1.090 |
High resolution limit [Å] | 1.030 | 1.030 |
Rmerge | 0.055 | 0.515 |
Number of reflections | 151655 | |
<I/σ(I)> | 11.83 | 2.26 |
Completeness [%] | 94.6 | 90.6 |
Redundancy | 3.863 | 3.786 |
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 |