4YYQ
Ficin A
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 | CCD |
| Collection date | 2013-03-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9801 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.654, 52.836, 96.200 |
| Unit cell angles | 90.00, 125.09, 90.00 |
Refinement procedure
| Resolution | 36.301 - 1.594 |
| R-factor | 0.1602 |
| Rwork | 0.159 |
| R-free | 0.18110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ppn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.225 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.301 | 1.650 |
| High resolution limit [Å] | 1.594 | 1.600 |
| Rmerge | 0.098 | 0.520 |
| Number of reflections | 63065 | |
| <I/σ(I)> | 17.1 | 3.1 |
| Completeness [%] | 92.0 | 74 |
| Redundancy | 9.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.4 M (NH4)3PO4, 0.1 M TRIS pH 8.5 |
