Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2003-03-11 |
Detector | SBC-3 |
Wavelength(s) | 0.96367 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.020, 139.610, 156.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.350 - 2.500 |
R-factor | 0.19704 |
Rwork | 0.195 |
R-free | 0.22905 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.447 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.064 | 0.440 |
Number of reflections | 40218 | |
<I/σ(I)> | 8 | 2.1 |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 4.48 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 290 | SODIUM CHLORIDE, SODIUM FORMATE, GLYCEROL, PH 7, VAPOR DIFFUSION, TEMPERATURE 290K |
1 | VAPOR DIFFUSION | 7 | 290 | SODIUM CHLORIDE, SODIUM FORMATE, GLYCEROL, PH 7, VAPOR DIFFUSION, TEMPERATURE 290K |