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 |