1JEZ
THE STRUCTURE OF XYLOSE REDUCTASE, A DIMERIC ALDO-KETO REDUCTASE FROM CANDIDA TENUIS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-02-16 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.840, 63.350, 103.160 |
| Unit cell angles | 90.00, 111.28, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.179 |
| Rwork | 0.179 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | modified 1ADS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.350 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.089 | 0.406 |
| Total number of observations | 109237 * | |
| Number of reflections | 33457 | |
| <I/σ(I)> | 12.8 | 3.1 |
| Completeness [%] | 98.8 | 97.3 |
| Redundancy | 3.26 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 30% PEG 4000, 200mM ammonium acetate, 100 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP at 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | PEG4000 | 15 (%(w/v)) | |
| 3 | 1 | drop | ammonium acetate | 100 (mM) | |
| 4 | 1 | drop | sodium citrate | 50 (mM) | pH5.6 |
| 5 | 1 | reservoir | PEG4000 | 30 (%(w/v)) | |
| 6 | 1 | reservoir | ammonium acetate | 200 (mM) | |
| 7 | 1 | reservoir | sodium citrate | 100 (mM) | pH5.6 |
