1ID0
CRYSTAL STRUCTURE OF THE NUCLEOTIDE BOND CONFORMATION OF PHOQ KINASE DOMAIN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-03-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.503, 45.004, 71.764 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.500 - 1.600 |
| R-factor | 0.199 * |
| Rwork | 0.199 |
| R-free | 0.23300 |
| Structure solution method | MAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MADSYS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.500 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.052 | 0.186 |
| Total number of observations | 34398 * | |
| Number of reflections | 19159 | |
| <I/σ(I)> | 32.5 | |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 10.5 * | 10.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 * | 4 * | a cacodylate, PEG 1500, Mg acetate, pH 6.5, VAPORDIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | pH8.5 |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | reservoir | cacodylate | 100 (mM) | pH6.5 |
| 5 | 1 | reservoir | PEG1500 | 20-24 (%) | |
| 6 | 1 | reservoir | magnesium acetate | 100-200 (mM) |
