2XVB
Crystal structure of Laccase from Thermus thermophilus HB27 complexed with Hg, crystal of the apoenzyme soaked for 5 min. in 5 mM HgCl2 at 278 K.
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 | 2010-03-23 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 93.456, 110.183, 96.343 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.689 - 1.700 |
R-factor | 0.1541 |
Rwork | 0.153 |
R-free | 0.17780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xu9 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.977 |
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] | 20.000 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.130 | 0.350 |
Number of reflections | 59564 | |
<I/σ(I)> | 9.14 | 3.72 |
Completeness [%] | 94.6 | 91.4 |
Redundancy | 9.9 | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1 M HEPES PH 7.5,70 % MPD. BEFORE DATA COLLECTION THE CRYSTAL WAS SOAKED FOR 5 MINUTES IN 5 MM HGCL2 |