3BZG
UVDE pH4.4
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 | 107.140, 107.140, 90.830 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.780 - 1.910 |
R-factor | 0.19823 |
Rwork | 0.196 |
R-free | 0.24437 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2j6v |
RMSD bond length | 0.019 |
RMSD bond angle | 1.689 |
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] | 92.848 | 2.010 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.048 | 0.282 |
Number of reflections | 24142 | |
<I/σ(I)> | 10.2 | |
Completeness [%] | 99.2 | 100 |
Redundancy | 6.4 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.4 | 295 | Acetate, Naformate, MnCl2, pH4.4, VAPOR DIFFUSION, SITTING DROP, temperature 295K |