3WP3
Xylanase 11C from Talaromyces cellulolyticus (formerly known as Acremonium cellulolyticus)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-17 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.513, 60.108, 106.982 |
| Unit cell angles | 90.00, 99.07, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.980 |
| R-factor | 0.2344 |
| Rwork | 0.232 |
| R-free | 0.27670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.953 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.010 |
| High resolution limit [Å] | 1.980 | 5.370 | 1.980 |
| Rmerge | 0.108 | 0.041 | 0.347 |
| Number of reflections | 35412 | ||
| <I/σ(I)> | 11 | ||
| Completeness [%] | 99.4 | 99.5 | 97.6 |
| Redundancy | 3.6 | 4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.8M Sodium dihydrogen phosphate, 0.8M Potassium dihydrogen phosphate, 0.1M Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
