4PPU
Crystal Structure of AtCM1 with Tyrosine Bound in Allosteric Site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 76 |
| Detector technology | CCD |
| Collection date | 2013-08-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | .9795 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 99.859, 99.859, 156.277 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.700 - 2.300 |
| R-factor | 0.167 |
| Rwork | 0.162 |
| R-free | 0.21430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4csm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.073 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.700 | 2.370 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.413 | |
| Number of reflections | 13649 | |
| <I/σ(I)> | 14.4 | 6.6 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 32 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 30% PEG-400, HEPES 7.5, 0.2 M MgCl2 hexahydrate, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
