1K49
Crystal Structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase (cation free form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 105 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-04-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 53.697, 87.826, 43.958 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 * - 1.500 |
| R-factor | 0.201 * |
| Rwork | 0.201 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | E. coli enzyme structure (1G57) |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.400 |
| 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] | 30.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.042 | 0.270 |
| Total number of observations | 110275 * | |
| Number of reflections | 30209 | |
| <I/σ(I)> | 26.7 | 3.5 |
| Completeness [%] | 88.6 | 36 |
| Redundancy | 3.65 | 1.2 |
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 |
