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 |
