8SAD
Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP/Malonate complex (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 | 87.589, 130.211, 82.534 |
Unit cell angles | 90.00, 104.31, 90.00 |
Refinement procedure
Resolution | 42.030 - 1.400 |
R-factor | 0.1467 |
Rwork | 0.146 |
R-free | 0.16120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.854 |
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] | 79.970 | 1.440 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.070 | 1.309 |
Rmeas | 0.076 | 1.419 |
Rpim | 0.029 | 0.540 |
Total number of observations | 1209616 | 87753 |
Number of reflections | 175389 | 12918 |
<I/σ(I)> | 13.5 | 1.5 |
Completeness [%] | 100.0 | |
Redundancy | 6.9 | 6.8 |
CC(1/2) | 0.999 | 0.599 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | Berkeley G2: 45% MPD, 0.2 M Sodium Malonate, pH 7.0, 0.1 M Bis-Tris, pH 6.5. KlaeA.00906.a.B1.PW39169 at 41.1 mg/mL. Plate: 13119, well G2 drop 3, Puck: PSL-0907, Cryo: Direct |