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 | 2008-12-02 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.08 |
Spacegroup name | P 4 2 2 |
Unit cell lengths | 167.250, 167.250, 62.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 118.260 - 2.980 |
R-factor | 0.265 |
Rwork | 0.265 |
R-free | 0.28300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dnv |
RMSD bond length | 0.014 |
RMSD bond angle | 1.600 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 118.700 | 3.100 |
High resolution limit [Å] | 2.980 | 2.980 |
Rmerge | 0.430 | |
Number of reflections | 18730 | |
<I/σ(I)> | 1.9 | |
Completeness [%] | 99.8 | 99 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | tascimate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | tascimate | ||
2 | 1 | 2 | tascimate |