Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-01-16 |
Detector | MACSCIENCE |
Wavelength(s) | 0.95373 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 70.310, 70.310, 187.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.440 - 2.800 |
R-factor | 0.23607 |
Rwork | 0.233 |
R-free | 0.26655 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fuk |
RMSD bond length | 0.010 |
RMSD bond angle | 1.244 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.107 | 0.820 |
Number of reflections | 12185 | |
<I/σ(I)> | 15.65 | 2.59 |
Completeness [%] | 100 | |
Redundancy | 8.8 | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M Bis-Tris propane, 2.5 M Ammonium sulfate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |