6YCB
Structure the ananain protease from Ananas comosus covalently bound to with 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 | 34.400, 58.130, 119.819 |
Unit cell angles | 90.00, 93.46, 90.00 |
Refinement procedure
Resolution | 39.867 - 1.257 |
R-factor | 0.124 |
Rwork | 0.123 |
R-free | 0.15070 |
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] | 41.830 | 41.830 | 1.280 |
High resolution limit [Å] | 1.250 | 5.570 | 1.250 |
Rmerge | 0.076 | 0.034 | 2.175 |
Rmeas | 0.083 | 0.037 | 2.417 |
Rpim | 0.032 | 0.014 | 1.033 |
Total number of observations | 847514 | 10044 | 44204 |
Number of reflections | 128434 | 1561 | 8798 |
<I/σ(I)> | 12.2 | 38.2 | 0.6 |
Completeness [%] | 96.7 | 99.4 | 89.1 |
Redundancy | 6.6 | 6.4 | 5 |
CC(1/2) | 0.999 | 0.999 | 0.281 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 1M Li2SO4, 0.5M (NH4)2SO4, 0.1M citrate pH5.6 |