3IX3
LasR-OC12 HSL complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.293, 67.616, 54.396 |
| Unit cell angles | 90.00, 115.04, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.400 |
| R-factor | 0.1701 |
| Rwork | 0.168 |
| R-free | 0.20675 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uv0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.394 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 65688 | |
| <I/σ(I)> | 37.1 | 17.7 |
| Completeness [%] | 93.3 | 87.1 |
| Redundancy | 4.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 276 | 16% PEG 4000, 0.04 M HEPES, 0.08 M calcium acetate, 0.03 M DTT, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 276K |
