2YAP
X-ray induced reduction of laccase from Thermus thermophilus HB27 (62. 5-75.0 percent dose)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-15 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 93.537, 110.173, 96.247 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.869 - 1.800 |
R-factor | 0.1506 |
Rwork | 0.149 |
R-free | 0.17890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xu9 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.418 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.130 | 0.330 |
Number of reflections | 44430 | |
<I/σ(I)> | 8 | 4.1 |
Completeness [%] | 96.7 | 97.8 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1M HEPES PH 7.5, 70% MPD |