5DR0
Endothiapepsin in complex with fragment 203
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 | 2013-04-12 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8944 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.249, 73.035, 52.712 |
Unit cell angles | 90.00, 109.16, 90.00 |
Refinement procedure
Resolution | 29.447 - 1.400 |
R-factor | 0.1184 |
Rwork | 0.117 |
R-free | 0.14320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pcw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.182 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1492) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.700 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.482 | |
Number of reflections | 63639 | |
<I/σ(I)> | 15.7 | 3.1 |
Completeness [%] | 99.5 | 98.6 |
Redundancy | 3.9 | 3.9 |
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 |