3C0L
UVDE K229R
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 | 107.110, 107.110, 91.120 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.180 - 3.150 |
R-factor | 0.19703 |
Rwork | 0.195 |
R-free | 0.24940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bzg |
RMSD bond length | 0.006 |
RMSD bond angle | 0.945 |
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] | 46.180 | 3.320 |
High resolution limit [Å] | 3.150 | 3.150 |
Rmerge | 0.134 | 0.366 |
Number of reflections | 5367 | |
<I/σ(I)> | 18.3 | 6.6 |
Completeness [%] | 95.3 | 95.3 |
Redundancy | 10.7 | 11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 0.1M Acetate, pH5.6, 1M Naformate, VAPOR DIFFUSION, SITTING DROP, temperature 295K |