4YD7
Endothiapepsin in complex with fragment 255
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 | 2014-02-15 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.894400 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.290, 73.089, 52.793 |
Unit cell angles | 90.00, 109.61, 90.00 |
Refinement procedure
Resolution | 19.181 - 1.419 |
R-factor | 0.1172 |
Rwork | 0.116 |
R-free | 0.14950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pcw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.189 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | PHENIX (dev_1779) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.181 | 1.500 |
High resolution limit [Å] | 1.419 | 1.419 |
Rmerge | 0.502 | |
Number of reflections | 61045 | |
<I/σ(I)> | 17.3 | 3.1 |
Completeness [%] | 99.6 | 99 |
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 |