5DR8
Endothiapepsin in complex with fragment 330
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 | 2014-01-22 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.895 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.305, 73.176, 52.911 |
Unit cell angles | 90.00, 109.58, 90.00 |
Refinement procedure
Resolution | 28.104 - 1.470 |
R-factor | 0.1242 |
Rwork | 0.123 |
R-free | 0.15120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pcw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.210 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1492) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.700 | 1.560 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.487 | |
Number of reflections | 55239 | |
<I/σ(I)> | 19.3 | 4.4 |
Completeness [%] | 99.6 | 98.8 |
Redundancy | 4.2 | 4.1 |
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 |