8U99
Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes (PLP-Serine adduct)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 19-ID |
Synchrotron site | NSLS-II |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-08-06 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 87.814, 131.172, 82.672 |
Unit cell angles | 90.00, 103.93, 90.00 |
Refinement procedure
Resolution | 42.060 - 1.800 |
R-factor | 0.1677 |
Rwork | 0.166 |
R-free | 0.20740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.991 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.21rc1_5057: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.240 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.138 | 1.001 |
Rmeas | 0.157 | 1.138 |
Rpim | 0.073 | 0.533 |
Total number of observations | 367351 | 26257 |
Number of reflections | 81645 | 5901 |
<I/σ(I)> | 6.9 | 1.6 |
Completeness [%] | 97.5 | |
Redundancy | 4.5 | 4.4 |
CC(1/2) | 0.993 | 0.557 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | Morpheus B12: 12.5%(v/v) MPD, 12.5%(v/v) PEG 1000, 12.5%(w/v) PEG 3350, 100 mM Tris/BICINE, pH 8.5, 30 mM NaF, 30 mM NaBr and 30 mM NaI, 2mM PLP and serine added to the protein prior to crystallization, KlaeA.00906.a.B1.PW39169 at 41.1 mg/mL. Plate 13534 well B12 drop 3, Puck: PSL-0907, Cryo: Direct |