4NTO
Crystal structure of D60A mutant of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with C2 ceramide-1-phosphate (d18:1/2:0) at 2.15 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97949 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 91.820, 103.574, 165.289 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.411 - 2.152 |
R-factor | 0.1981 |
Rwork | 0.196 |
R-free | 0.24040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nt1 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.093 |
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 | 2.230 |
High resolution limit [Å] | 2.150 | 4.630 | 2.150 |
Rmerge | 0.074 | 0.031 | 0.607 |
Number of reflections | 42665 | ||
<I/σ(I)> | 9.5 | ||
Completeness [%] | 99.3 | 96.6 | 100 |
Redundancy | 4.3 | 4.2 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M sodium malonate, 0.1 M Bis-Tris propane, pH 6.5, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |