5K0D
Crystal structure of laccase from Thermus thermophilus HB27 (Cu(II)-cyclophanes, 3 min)
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 | 2012-09-03 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9184 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 93.940, 110.330, 96.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.724 - 1.824 |
R-factor | 0.1609 |
Rwork | 0.159 |
R-free | 0.18920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xu9 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.897 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.724 | 2.000 |
High resolution limit [Å] | 1.824 | 1.824 |
Rmerge | 0.086 | 0.324 |
Number of reflections | 44639 | |
<I/σ(I)> | 15.74 | 5.05 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 4.55 | 4.58 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.1 M HEPES, pH 7.5, 70% MPD |