2R6D
Crystal Form B1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-10 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.005 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 371.260, 110.295, 112.606 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 3.700 |
R-factor | 0.30966 |
Rwork | 0.309 |
R-free | 0.32228 |
Structure solution method | MIR |
RMSD bond length | 0.009 |
RMSD bond angle | 1.416 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.830 |
High resolution limit [Å] | 3.700 | 3.700 |
Number of reflections | 92787 | |
<I/σ(I)> | 15 | 1.8 |
Completeness [%] | 97.3 | 86.6 |
Redundancy | 3.7 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 298 | 1.0M Ammonium Acetate, pH 5.5, VAPOR DIFFUSION, temperature 298K |