3LT9
A non-biological ATP binding protein with a single point mutation (D65V), that contributes to optimized folding and ligand binding
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 | 71.461, 71.461, 55.583 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.340 - 2.550 |
| R-factor | 0.181 |
| Rwork | 0.178 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3G4B |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.710 |
| 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 | 2.640 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.092 | 0.494 |
| Number of reflections | 5562 | |
| <I/σ(I)> | 25.481 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.6 | 5.7 |
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 |
