4Y3M
Endothiapepsin in complex with fragment 103
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 | 2013-01-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.195, 72.528, 104.051 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.274 - 1.550 |
R-factor | 0.1464 |
Rwork | 0.145 |
R-free | 0.16560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pcw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.190 |
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] | 45.200 | 1.640 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.420 | |
Number of reflections | 50445 | |
<I/σ(I)> | 23.1 | 5.1 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 8 | 8.1 |
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 |