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 |