4Y3L
Endothiapepsin in complex with fragment 205
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 | 2013-04-18 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.894400 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.200, 72.860, 52.576 |
Unit cell angles | 90.00, 109.47, 90.00 |
Refinement procedure
Resolution | 29.355 - 1.160 |
R-factor | 0.1171 |
Rwork | 0.116 |
R-free | 0.13200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pcw |
RMSD bond length | 0.006 |
RMSD bond angle | 1.229 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev_1779) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.615 | 1.230 |
High resolution limit [Å] | 1.160 | 1.160 |
Rmerge | 0.345 | |
Number of reflections | 108943 | |
<I/σ(I)> | 17.43 | 3.23 |
Completeness [%] | 97.9 | 87.9 |
Redundancy | 3.6 | 2.7 |
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 |