6YCD
Structure the ananain protease from Ananas comosus covalently bound to the TLCK 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 | 34.390, 58.420, 119.160 |
| Unit cell angles | 90.00, 92.62, 90.00 |
Refinement procedure
| Resolution | 39.678 - 1.350 |
| R-factor | 0.1203 |
| Rwork | 0.119 |
| R-free | 0.14880 |
| 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] | 119.256 | 41.756 | 1.420 |
| High resolution limit [Å] | 1.344 | 4.250 | 1.344 |
| Rmerge | 0.033 | 0.599 | |
| Rmeas | 0.059 | 0.036 | 0.664 |
| Rpim | 0.023 | 0.014 | 0.281 |
| Total number of observations | 674749 | ||
| Number of reflections | 104486 | 3426 | 14723 |
| <I/σ(I)> | 15.7 | 15.3 | 1.3 |
| Completeness [%] | 99.2 | 99.6 | 96 |
| Redundancy | 6.5 | 6.5 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.5 M Li2SO4, 0.1 M citrate pH 5.6 |
