1QF9
PH INFLUENCES FLUORIDE COORDINATION NUMBER OF THE ALFX PHOSPHORYL TRANSFER TRANSITION STATE ANALOG IN UMP/CMP KINASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-10-15 |
| Detector | BRANDEIS |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 78.000, 78.000, 100.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.216 * |
| Rwork | 0.216 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ukd |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.082 * | 0.360 * |
| Total number of observations | 255114 * | |
| Number of reflections | 40853 | |
| <I/σ(I)> | 15 | 3 |
| Completeness [%] | 98.2 | 95.1 |
| Redundancy | 3.4 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.8 * | Wiesmuller, L., (1995) FEBS Lett., 363, 22. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 10 | 1 | reservoir | sodium azide | 0.04 (%) | |
| 11 | 1 | reservoir | DTE | 20 (mM) | |
| 2 | 1 | drop | PEG3350 | 14 (%(w/v)) | |
| 3 | 1 | drop | Tris-HCl | 50 (mM) | |
| 4 | 1 | drop | 100 (mM) | ||
| 5 | 1 | drop | sodium azide | 0.02 (%) | |
| 6 | 1 | drop | DTE | 10 (mM) | |
| 7 | 1 | reservoir | PEG3350 | 28 (%(w/v)) | |
| 8 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 9 | 1 | reservoir | 200 (mM) |
