Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 31.645, 43.564, 65.572 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.200 - 1.250 |
R-factor | 0.1234 |
Rwork | 0.122 |
R-free | 0.14940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dmx |
RMSD bond length | 0.011 |
RMSD bond angle | 1.533 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 26.200 | 40.000 | 1.270 |
High resolution limit [Å] | 1.250 | 3.390 | 1.250 |
Rmerge | 0.048 | 0.019 | 0.413 |
Number of reflections | 23934 | ||
<I/σ(I)> | 10.9 | 2.04 | |
Completeness [%] | 92.5 | 99.4 | 59.3 |
Redundancy | 6.1 | 6.6 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 2.4 M sodium malonate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |