6YCC
Structure the ananain protease from Ananas comosus covalently bound to the E64 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-09-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.980110 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.324, 59.486, 119.061 |
Unit cell angles | 90.00, 92.86, 90.00 |
Refinement procedure
Resolution | 34.281 - 1.300 |
R-factor | 0.1453 |
Rwork | 0.144 |
R-free | 0.16850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6y6l |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 118.913 | 39.638 | 1.370 |
High resolution limit [Å] | 1.300 | 4.110 | 1.300 |
Rmerge | 0.071 | 0.583 | |
Rmeas | 0.115 | 0.077 | 0.646 |
Rpim | 0.044 | 0.030 | 0.271 |
Total number of observations | 714869 | 25601 | 80007 |
Number of reflections | 114958 | 3859 | 15649 |
<I/σ(I)> | 8.3 | 17.1 | 2.1 |
Completeness [%] | 97.7 | 99.9 | 91.3 |
Redundancy | 6.2 | 6.6 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.5 M Li2SO4, 0.1 M citrate buffer at pH 5.6 |