2ZHZ
Crystal structure of a pduO-type ATP:cobalamin adenosyltransferase from Burkholderia thailandensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 6C1 |
Synchrotron site | PAL/PLS |
Beamline | 6C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-29 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.23986 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 53.907, 148.174, 158.096 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.940 - 1.800 |
R-factor | 0.211 |
Rwork | 0.201 |
R-free | 0.22900 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.940 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.052 | 0.249 |
Number of reflections | 57707 | |
<I/σ(I)> | 13.1 | |
Completeness [%] | 97.8 | 88.8 |
Redundancy | 6 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 295 | 0.1M Na Citrate, 22% Isopropanol, 12% PEG 4000, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K |