3JXD
Crystal structure of the P22 c2 repressor protein in complex with synthetic operator 9C in the presence of Rb+
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) | 1.000 |
| Spacegroup name | P 43 |
| Unit cell lengths | 64.007, 64.007, 101.623 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.340 - 2.100 |
| R-factor | 0.183 |
| Rwork | 0.180 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r1j |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.229 |
| 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] | 41.340 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 23743 | |
| <I/σ(I)> | 33.2 | 4.5 |
| Completeness [%] | 99.3 | 99.6 |
| Redundancy | 12.5 | 10.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | Rubidium chloride, PEG 400, Tris-HCl, MgCl2, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Rubidium chloride | ||
| 2 | 1 | 1 | PEG 400 | ||
| 3 | 1 | 1 | Tris-HCl | ||
| 4 | 1 | 1 | MgCl2 | ||
| 5 | 1 | 2 | Rubidium chloride | ||
| 6 | 1 | 2 | PEG 400 | ||
| 7 | 1 | 2 | Tris-HCl | ||
| 8 | 1 | 2 | MgCl2 |
