4NTK
QueD from E. coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-01-06 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9796 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.070, 112.595, 115.094 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.340 - 1.600 |
R-factor | 0.1866 |
Rwork | 0.185 |
R-free | 0.21743 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.725 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.400 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.033 | 0.546 |
Number of reflections | 98203 | |
<I/σ(I)> | 18.1 | 2.1 |
Completeness [%] | 98.4 | 97 |
Redundancy | 3.3 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | Crystals grown in 3% PEG4000, 0.1 M sodium acetate, pH 4.6. Crystal transfered to 35% PEG8000 and soaked for 1 hour with 7 mM sepiapterin, VAPOR DIFFUSION, HANGING DROP, temperature 295K |