2RDD
X-ray crystal structure of AcrB in complex with a novel transmembrane helix.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 145.097, 145.097, 511.644 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 3.500 |
| Rwork | 0.279 |
| R-free | 0.31700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iwg |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.900 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.550 | 3.720 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.105 | 0.553 |
| Number of reflections | 23532 | |
| <I/σ(I)> | 5.9 | 1.3 |
| Completeness [%] | 88.0 | 89.9 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 14-28% PEG1000 or PEG1500, 0.1M Tris, 0.1M LiSO4, 18mM n-Octyl-beta-D-Thioglucopyranoside and 20% 1,2,3-heptanetriol as an additive, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
