5A7M
The structure of Hypocrea jecorina beta-xylosidase Xyl3A (Bxl1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 99.911, 203.724, 82.112 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 204.120 - 1.800 |
| R-factor | 0.16249 |
| Rwork | 0.161 |
| R-free | 0.19857 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MODEL WITH LOWER RESOLUTION SOLVED USING SAD METHODS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.386 |
| Data reduction software | MOSFLM |
| Data scaling software | TRUNCATE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.570 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.130 | 0.590 |
| Number of reflections | 147027 | |
| <I/σ(I)> | 5.15 | 1.27 |
| Completeness [%] | 94.7 | 93.1 |
| Redundancy | 5.35 | 4.45 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 22% PEG 3350, 0.2M ZINC ACETATE 0.1M TRIS-CL PH 8.5 |
