8JUI
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 | 2022-05-27 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 143.100, 143.100, 80.907 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.740 - 2.200 |
R-factor | 0.18343 |
Rwork | 0.181 |
R-free | 0.23291 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7d7o |
RMSD bond length | 0.010 |
RMSD bond angle | 1.607 |
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 | 2.240 |
High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
Rmerge | 0.069 | 0.055 | 0.298 |
Rmeas | 0.070 | 0.056 | 0.302 |
Rpim | 0.011 | 0.011 | 0.046 |
Number of reflections | 25215 | 1383 | 1234 |
<I/σ(I)> | 14 | ||
Completeness [%] | 99.9 | 97.5 | 100 |
Redundancy | 41.6 | 32.8 | 42 |
CC(1/2) | 1.000 | 0.998 | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, Lithium citrate tribasic tetrahydrate |