3OB6
Structure of AdiC(N101A) in the open-to-out Arg+ bound conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.071, 77.204, 104.451 |
| Unit cell angles | 90.00, 106.79, 90.00 |
Refinement procedure
| Resolution | 25.000 - 3.000 |
| R-factor | 0.24473 |
| Rwork | 0.243 |
| R-free | 0.27202 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lrb |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.418 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 24681 | |
| <I/σ(I)> | 6.8 | 2.4 |
| Completeness [%] | 93.3 | 73.4 |
| Redundancy | 3.3 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 24-28% PEG400, 2mM Cymal-5, 1mM LDAO, 0.1M TRIS, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
