3JXC
Crystal structure of the P22 c2 repressor protein in complex with synthetic operator 9T in the presence of Tl+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2008-03-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97784 |
| Spacegroup name | P 43 |
| Unit cell lengths | 64.249, 64.249, 100.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.610 - 1.900 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r1j |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.681 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.610 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 31737 | |
| <I/σ(I)> | 44.3 | 9.29 |
| Completeness [%] | 98.5 | 97.7 |
| Redundancy | 13.4 | 11.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | PEG 400, Thallium acetate, Tris-HCl, Magnesium acetate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 400 | ||
| 2 | 1 | 1 | Thallium acetate | ||
| 3 | 1 | 1 | Tris-HCl | ||
| 4 | 1 | 1 | Magnesium acetate | ||
| 5 | 1 | 2 | PEG 400 | ||
| 6 | 1 | 2 | Thallium acetate | ||
| 7 | 1 | 2 | Tris-HCl | ||
| 8 | 1 | 2 | Magnesium acetate |
