1K4O
Crystal Structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase in complex with one Manganese, and a glycerol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2001-02-08 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 53.613, 88.069, 43.851 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.100 |
| R-factor | 0.177 * |
| Rwork | 0.177 |
| R-free | 0.19600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1K49 and no waters |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | TNT |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.078 | 0.346 |
| Total number of observations | 336658 * | |
| Number of reflections | 73399 | |
| <I/σ(I)> | 18.6 | 2.1 |
| Completeness [%] | 86.4 | 38.1 |
| Redundancy | 4.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | Liao, D.-I., (2000) Acta Crystallogr, D56, 1495. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7 (mg/ml) | |
| 2 | 1 | reservoir | PEG5000 MME | 24-30 (%) | |
| 3 | 1 | reservoir | 0.2 (M) | ||
| 4 | 1 | reservoir | MES-NaOH | 0.1 (M) | pH6.0-6.5 |
