5AE6
The structure of Hypocrea jecorina beta-xylosidase Xyl3A (Bxl1) in complex with 4-thioxylobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-25 |
| Detector | MARRESEARCH MAR165 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 100.244, 202.443, 82.441 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 202.440 - 2.100 |
| R-factor | 0.17972 |
| Rwork | 0.178 |
| R-free | 0.21357 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a7m |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.161 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.810 | 2.210 |
| High resolution limit [Å] | 1.970 | 2.100 |
| Rmerge | 0.080 | 0.340 |
| Number of reflections | 98490 | |
| <I/σ(I)> | 6.6 | 2.27 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.15 | 4.16 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1M PCB PH 7.0 25% PEG1500 |
