3LTA
Crystal structure of a non-biological ATP binding protein with a TYR-PHE mutation within the ligand binding domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-18 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 71.107, 71.107, 55.935 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.420 - 2.700 |
| R-factor | 0.204 |
| Rwork | 0.202 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3G4B |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.691 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.135 | 0.570 |
| Number of reflections | 4710 | |
| <I/σ(I)> | 15.385 | |
| Completeness [%] | 99.3 | 99.4 |
| Redundancy | 4.2 | 4.2 |
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 |
