4R9U
Structure of vitamin B12 transporter BtuCD in a nucleotide-bound outward facing state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2013-04-01 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 372.850, 113.210, 69.430 |
| Unit cell angles | 90.00, 94.92, 90.00 |
Refinement procedure
| Resolution | 29.514 - 2.785 |
| R-factor | 0.2181 |
| Rwork | 0.217 |
| R-free | 0.24650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fi3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.510 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.850 |
| High resolution limit [Å] | 2.785 | 7.300 | 2.800 |
| Number of reflections | 49823 | ||
| Completeness [%] | 88.6 | 100 | 41.5 |
| Redundancy | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 283 | PEG2000MME (14-18%), NaCl (1.2 M), ADA (100 mM, pH 6.9), VAPOR DIFFUSION, SITTING DROP, temperature 283K |
