5LWR
Endothiapepsin in complex with a derivative of fragment 177
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-08-06 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.207, 72.794, 52.616 |
Unit cell angles | 90.00, 109.24, 90.00 |
Refinement procedure
Resolution | 28.118 - 1.249 |
R-factor | 0.1138 |
Rwork | 0.113 |
R-free | 0.13130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4y5l |
RMSD bond length | 0.006 |
RMSD bond angle | 0.916 |
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] | 42.683 | 1.320 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.038 | 0.318 |
Number of reflections | 87290 | |
<I/σ(I)> | 20.72 | 3.5 |
Completeness [%] | 98.1 | 89.7 |
Redundancy | 3.996 | 3.031 |
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 |