1B3Q
CRYSTAL STRUCTURE OF CHEA-289, A SIGNAL TRANSDUCING HISTIDINE KINASE
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-07-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.946, 0.999, 1.001 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.800, 126.500, 75.100 |
| Unit cell angles | 90.00, 95.60, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| Rwork | 0.213 |
| R-free | 0.28500 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.068 * | 0.344 * |
| Total number of observations | 93352 * | |
| Number of reflections | 33278 * | |
| <I/σ(I)> | 21 | 3.2 |
| Completeness [%] | 92.6 | 79.5 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.5 | 80MM SUCCINATE, PH 5.5, 20% MPD, 5% ISOPROPANOL, 4% PEG 8000 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 2 | 80MM SUCCINATE PH 5.5 | ||
| 2 | 1 | 2 | 20% MPD | ||
| 3 | 1 | 2 | 5% ISOPROPANOL | ||
| 4 | 1 | 2 | 4% PEG 8000 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | succinate | 80 (mM) | |
| 2 | 1 | reservoir | MPD | 20 (%) | |
| 3 | 1 | reservoir | isopropanol | 5 (%) | |
| 4 | 1 | reservoir | PEG8000 | 3-7 (%) |
