4Q6B
Crystal Structure of ABC Transporter Substrate-Binding Protein fromDesulfitobacterium hafniense complex with Leu
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-31 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.425, 42.765, 63.577 |
| Unit cell angles | 90.00, 108.95, 90.00 |
Refinement procedure
| Resolution | 31.092 - 1.667 |
| R-factor | 0.17 |
| Rwork | 0.168 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 4MLC |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.481 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.667 | 1.670 |
| Number of reflections | 35641 | |
| <I/σ(I)> | 10 | 2.4 |
| Completeness [%] | 99.4 | 92.8 |
| Redundancy | 3.6 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M calcium chloride, 20 % PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
