3MPN
F177R1 mutant of LeuT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-07 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.261, 86.222, 80.636 |
| Unit cell angles | 90.00, 95.35, 90.00 |
Refinement procedure
| Resolution | 36.800 - 2.250 |
| R-factor | 0.17547 |
| Rwork | 0.173 |
| R-free | 0.21353 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a65 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.769 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.5.0088) |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.800 | 2.310 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 28364 | |
| <I/σ(I)> | 13.02 | 3.1 |
| Completeness [%] | 98.6 | 89.1 |
| Redundancy | 4.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 24% PEG (MME) 550, 0.2M NaCl, 0.1M HEPES , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
