1JJF
STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF THE FERULOYL ESTERASE DOMAIN OF THE CELLULOSOMAL XYLANASE Z OF CLOSTRIDIUM THERMOCELLUM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-11-21 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.293, 63.652, 79.777 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.030 - 1.750 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.20600 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLOMON |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.070 | 0.330 |
| Total number of observations | 260585 * | |
| Number of reflections | 21940 | |
| <I/σ(I)> | 23.3 | 2.5 |
| Completeness [%] | 95.3 | 83.4 |
| Redundancy | 5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 * | 273 * | PEGMME2000, AMMONIUM SULFATE, SODIUM ACETATE, GLYCEROL, pH 4.60, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | |
| 3 | 1 | drop | 0.2 (M) | ||
| 4 | 1 | drop | glycerol | 5 (%) | |
| 5 | 1 | drop | FAXX | 100 (mg/ml) | |
| 6 | 1 | reservoir | PEG8000 | 30 (%(w/v)) | |
| 7 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 8 | 1 | reservoir | sodium cacodylate | 0.1 (M) |
