3LTC
X-ray structure of a non-biological ATP binding protein determined in the presence of 10 mM ATP at 2.0 A by multi-wavelength anomalous dispersion
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12B |
Synchrotron site | NSLS |
Beamline | X12B |
Temperature [K] | 143 |
Detector technology | CCD |
Collection date | 2008-06-18 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.2817, 1.2750, 1.2822 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 73.702, 73.702, 54.760 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.170 - 2.000 |
R-factor | 0.18 |
Rwork | 0.179 |
R-free | 0.21100 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.672 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | REFMAC (5.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.073 | 0.375 |
Number of reflections | 11912 | |
<I/σ(I)> | 18.833 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 0.1 M SODIUM PHOSPHATE PH 8.5, 0.25 M SODIUM CITRATE, 0.3 M SODIUM CHLORIDE, 23% PEG 400, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K |