6LAA
Crystal structure of full-length CYP116B46 from Tepidiphilus thermophilus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-03-10 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.9998 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 94.715, 94.715, 242.641 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.110 - 2.130 |
R-factor | 0.1698 |
Rwork | 0.168 |
R-free | 0.21010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gii |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.210 |
High resolution limit [Å] | 2.130 | 4.580 | 2.130 |
Rmerge | 0.110 | 0.046 | 1.502 |
Rmeas | 0.113 | 0.048 | 1.553 |
Rpim | 0.028 | 0.012 | 0.387 |
Total number of observations | 1025951 | ||
Number of reflections | 62367 | 6604 | 6151 |
<I/σ(I)> | 6 | ||
Completeness [%] | 99.7 | 98.6 | 100 |
Redundancy | 16.5 | 15 | 15.2 |
CC(1/2) | 0.999 | 0.823 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 298 | Na/K phosphate, glycerol |