8SAE
Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP and Hepes bound (C2 form)
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 | 2022-02-14 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 87.064, 130.902, 82.402 |
Unit cell angles | 90.00, 104.40, 90.00 |
Refinement procedure
Resolution | 79.810 - 1.500 |
R-factor | 0.1625 |
Rwork | 0.162 |
R-free | 0.18090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.944 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.21rc1_4906: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.810 | 1.540 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.069 | 1.447 |
Rmeas | 0.074 | 1.559 |
Rpim | 0.028 | 0.576 |
Total number of observations | 987158 | 73152 |
Number of reflections | 140067 | 10181 |
<I/σ(I)> | 14.6 | 1.5 |
Completeness [%] | 98.5 | |
Redundancy | 7 | 7.2 |
CC(1/2) | 1.000 | 0.668 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | Berkeley F8: 55% MPD, 100 mM HEPES, pH 7.5. KlaeA.00906.a.B1.PW39169 at 41.1 mg/mL. Plate: 13119, well F8 drop 3, Puck: PSL-0911, Cryo: Direct |