Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2010-11-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.10 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.260, 147.100, 95.959 |
Unit cell angles | 90.00, 106.49, 90.00 |
Refinement procedure
Resolution | 43.909 - 3.200 |
R-factor | 0.1906 |
Rwork | 0.188 |
R-free | 0.24190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 2BC4 (DM) 1KLU (DR1) |
RMSD bond length | 0.003 |
RMSD bond angle | 0.853 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.314 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.683 | 0.683 |
Number of reflections | 36565 | |
<I/σ(I)> | 5.4 | 5.4 |
Completeness [%] | 93.9 | 94 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 100 mM Na acetate, 8% PEG 4K, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |