4YCT
Endothiapepsin in complex with fragment 216
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.918410 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.224, 72.957, 52.636 |
Unit cell angles | 90.00, 109.53, 90.00 |
Refinement procedure
Resolution | 34.742 - 1.130 |
R-factor | 0.1391 |
Rwork | 0.138 |
R-free | 0.15680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pcw |
RMSD bond length | 0.006 |
RMSD bond angle | 1.213 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX (dev_1779) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.623 | 1.200 |
High resolution limit [Å] | 1.130 | 1.130 |
Rmerge | 0.451 | |
Number of reflections | 114817 | |
<I/σ(I)> | 17.4 | 3 |
Completeness [%] | 95.4 | 88.5 |
Redundancy | 4.1 | 3.8 |
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 |