3CET
Crystal structure of the pantheonate kinase-like protein Q6M145 at the resolution 1.8 A. Northeast Structural Genomics Consortium target MrR63
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97900 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.424, 75.308, 163.317 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.980 - 1.800 |
R-factor | 0.219 |
Rwork | 0.219 |
R-free | 0.24600 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.800 |
Rmerge | 0.065 |
Number of reflections | 78605 |
<I/σ(I)> | 20.7 |
Completeness [%] | 89.5 |
Redundancy | 11.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 6% PEG 6000, 100 mM MnSO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |