6TYR
Crystal structure of Laccase from Thermus thermophilus HB27 with a close conformation of its beta-hairpin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-25 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 61.445, 85.386, 169.156 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.290 - 1.813 |
R-factor | 0.1831 |
Rwork | 0.181 |
R-free | 0.23320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xu9 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK (7.0.076) |
Phasing software | PHASER (7.0.076) |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.290 | 42.290 | 1.880 |
High resolution limit [Å] | 1.810 | 3.910 | 1.810 |
Rmerge | 0.031 | 0.013 | 0.347 |
Rmeas | 0.043 | 0.018 | 0.491 |
Rpim | 0.031 | 0.013 | 0.347 |
Number of reflections | 39303 | 4263 | 3430 |
<I/σ(I)> | 25.62 | 91.3 | 2.9 |
Completeness [%] | 96.5 | 99.8 | 85.4 |
Redundancy | 1.9 | 2 | 1.9 |
CC(1/2) | 0.999 | 0.999 | 0.682 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5.5 | 277.15 | 20% PEG 4000, 20% 2-propanol, 100 mM sodium citrate pH 5.5 |