4YD4
Endothiapepsin in complex with fragment 227
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 | 45.342, 73.490, 53.026 |
Unit cell angles | 90.00, 109.56, 90.00 |
Refinement procedure
Resolution | 29.602 - 1.270 |
R-factor | 0.1228 |
Rwork | 0.121 |
R-free | 0.14650 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3pcw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.212 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX (dev_1779) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.726 | 1.350 |
High resolution limit [Å] | 1.270 | 1.270 |
Rmerge | 0.483 | |
Number of reflections | 84492 | |
<I/σ(I)> | 18.8 | 3.2 |
Completeness [%] | 97.8 | 96.5 |
Redundancy | 4.2 | 4.2 |
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 |