8JUJ
Crystal structures of Cystathionine beta lyase from Bacillus cereus ATCC 14579
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-04-12 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.670, 85.233, 167.965 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.150 - 1.990 |
R-factor | 0.19493 |
Rwork | 0.193 |
R-free | 0.23929 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qp3 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.541 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
High resolution limit [Å] | 1.990 | 5.430 | 2.000 |
Rmerge | 0.079 | 0.053 | 0.299 |
Rmeas | 0.083 | 0.056 | 0.313 |
Rpim | 0.024 | 0.016 | 0.088 |
Number of reflections | 50383 | 2817 | 2371 |
<I/σ(I)> | 13.7 | ||
Completeness [%] | 95.7 | 98.2 | 90.5 |
Redundancy | 11.7 | 11.9 | 11.9 |
CC(1/2) | 0.996 | 0.998 | 0.975 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PET3350, Magnesium formate dihydrate |