3B5J
Crystal Structures of the S504A Mutant of an Isolated ABC-ATPase in Complex with TNP-ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-10-11 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.8423 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 179.200, 34.600, 38.000 |
| Unit cell angles | 90.00, 98.40, 90.00 |
Refinement procedure
| Resolution | 17.980 - 2.000 |
| R-factor | 0.209 |
| Rwork | 0.204 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ff7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.174 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.200 | |
| High resolution limit [Å] | 2.000 | 10.000 | 2.000 |
| Rmerge | 0.076 | 0.036 | 0.291 |
| Number of reflections | 14635 | 96 | 3599 |
| <I/σ(I)> | 8.93 | 22 | 3.5 |
| Completeness [%] | 91.9 | 64.9 | 92.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | VAPOR DIFFUSION, HANGING DROP, temperature 277K |
