5DQ5
Endothiapepsin in complex with fragment 209
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 | 2014-01-24 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.918409 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.281, 72.986, 52.598 |
Unit cell angles | 90.00, 109.47, 90.00 |
Refinement procedure
Resolution | 36.493 - 1.470 |
R-factor | 0.1315 |
Rwork | 0.130 |
R-free | 0.15750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pcw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.232 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1492) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.018 | 1.560 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.475 | |
Number of reflections | 54315 | |
<I/σ(I)> | 16.42 | 2.55 |
Completeness [%] | 98.9 | 97.5 |
Redundancy | 3.69 | 3.44 |
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 |