3C0Q
UVDE E175A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-16 |
Detector | MAR225 |
Wavelength(s) | 0.933 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 113.380, 113.380, 89.080 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.030 - 2.740 |
R-factor | 0.20034 |
Rwork | 0.198 |
R-free | 0.24510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bzg |
RMSD bond length | 0.009 |
RMSD bond angle | 1.318 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.030 | 2.890 |
High resolution limit [Å] | 2.740 | 2.740 |
Rmerge | 0.087 | 0.364 |
Number of reflections | 9213 | |
<I/σ(I)> | 8 | |
Completeness [%] | 99.3 | 99.8 |
Redundancy | 4.4 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | 0.5M ammonium sulfate, 0.1M acetate, pH6.0, 1M lithium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 295K |