1K6A
Structural studies on the mobility in the active site of the Thermoascus aurantiacus xylanase I
Replaces: 1FXMExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 293 |
| Wavelength(s) | 0.87 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.220, 59.240, 51.310 |
| Unit cell angles | 90.00, 109.80, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.140 |
| R-factor | 0.1065 |
| Rwork | 0.109 |
| R-free | 0.14580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.028 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.500 | 1.150 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Number of reflections | 80508 | |
| Completeness [%] | 85.2 | 72.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 298 | PEG 6K, phosphate citrate buffer, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 298 | PEG 6K, phosphate citrate buffer, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
