3IX4
LasR-TP1 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 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.196, 84.546, 156.385 |
| Unit cell angles | 90.00, 95.97, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.800 |
| R-factor | 0.20126 |
| Rwork | 0.199 |
| R-free | 0.24675 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ix3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.092 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 127357 | |
| <I/σ(I)> | 19.6 | |
| Completeness [%] | 97.9 | 91.6 |
| Redundancy | 2.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 276 | 16% PEG 4000, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 276K |
