1G57
CRYSTAL STRUCTURE OF 3,4-DIHYDROXY-2-BUTANONE 4-PHOSPHATE SYNTHASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 1999-02-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.93218 |
| Spacegroup name | P 31 |
| Unit cell lengths | 78.187, 78.187, 69.622 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 - 1.400 |
| Rwork | 0.180 |
| R-free | 0.22100 |
| Structure solution method | MAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.770 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.057 | 0.194 |
| Total number of observations | 1025357 * | |
| Number of reflections | 93842 * | |
| <I/σ(I)> | 45.7 | 10.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.9 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | CsCl, Cs(formate), Bis-Tris-propane, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 24 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | |
| 3 | 1 | reservoir | sodium formate | 6 (M) | |
| 4 | 1 | reservoir | HEPES-NaOH | 25 (mM) |
