4NTG
Crystal structure of D60A mutant of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with C12 ceramide-1-phosphate (d18:1/12:0) at 2.55 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | H 3 2 |
Unit cell lengths | 101.507, 101.507, 280.732 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.945 - 2.550 |
R-factor | 0.1871 |
Rwork | 0.181 |
R-free | 0.23630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nt1 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.096 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
High resolution limit [Å] | 2.550 | 5.490 | 2.550 |
Rmerge | 0.095 | 0.046 | 0.586 |
Number of reflections | 18329 | ||
<I/σ(I)> | 12.3 | ||
Completeness [%] | 98.7 | 97.7 | 98.5 |
Redundancy | 3.7 | 3.4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M sodium bromide, 0.1 M Bis-Tris propane, pH 7.5, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |