3JXB
Crystal structure of the P22 c2 repressor protein in complex with synthetic operator 9C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2007-08-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.602, 54.319, 114.112 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.900 - 1.670 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r1j |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.621 |
| 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] | 19.900 | 1.710 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.659 | |
| Number of reflections | 29254 | |
| <I/σ(I)> | 47.1 | 2.12 |
| Completeness [%] | 97.3 | 91.7 |
| Redundancy | 5.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | PEG 400, NaCl, Tris-HCl, MgCl2, LiCl, 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 | ||
| 10 | 1 | 2 | LiCl | ||
| 2 | 1 | 1 | NaCl | ||
| 3 | 1 | 1 | Tris-HCl | ||
| 4 | 1 | 1 | MgCl2 | ||
| 5 | 1 | 1 | LiCl | ||
| 6 | 1 | 2 | PEG 400 | ||
| 7 | 1 | 2 | NaCl | ||
| 8 | 1 | 2 | Tris-HCl | ||
| 9 | 1 | 2 | MgCl2 |
