5DQ2
Endothiapepsin in complex with fragment 48
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 | 2012-09-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.614, 72.433, 52.747 |
Unit cell angles | 90.00, 108.94, 90.00 |
Refinement procedure
Resolution | 43.140 - 1.514 |
R-factor | 0.1233 |
Rwork | 0.121 |
R-free | 0.16410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pcw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.178 |
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] | 43.143 | 1.610 |
High resolution limit [Å] | 1.514 | 1.514 |
Rmerge | 0.503 | |
Number of reflections | 48966 | |
<I/σ(I)> | 18.99 | 6.4 |
Completeness [%] | 96.9 | 82.1 |
Redundancy | 4.18 | 4.11 |
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 |