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 |