5DQ4
Endothiapepsin in complex with fragment 66
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 | 2012-11-16 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8912 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.128, 72.766, 52.596 |
Unit cell angles | 90.00, 109.65, 90.00 |
Refinement procedure
Resolution | 16.511 - 1.150 |
R-factor | 0.1115 |
Rwork | 0.111 |
R-free | 0.12990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pcw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.282 |
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] | 42.500 | 1.220 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmerge | 0.261 | |
Number of reflections | 111456 | |
<I/σ(I)> | 21.36 | 5.14 |
Completeness [%] | 98.2 | 91.8 |
Redundancy | 4.07 | 3.68 |
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 |