4I76
Crystal structure of transcriptional regulator TM1030 with octanol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 121.911, 50.429, 88.098 |
| Unit cell angles | 90.00, 129.15, 90.00 |
Refinement procedure
| Resolution | 26.990 - 2.100 |
| R-factor | 0.1963 |
| Rwork | 0.193 |
| R-free | 0.25620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2id6 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.637 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.120 | 0.084 | 0.378 |
| Number of reflections | 23321 | ||
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 95.5 | 99.2 | 73.5 |
| Redundancy | 4.5 | 4.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 30%w/v PEG 2K MME, 0.1M KSCN, 6%v/v octanol, pH 7.5, VAPOR DIFFUSION, temperature 293K |
