8DUY
Crystal structure of Cystathionine beta-lyase from Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-07-29 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.610, 131.140, 85.440 |
Unit cell angles | 90.00, 99.93, 90.00 |
Refinement procedure
Resolution | 45.910 - 1.900 |
R-factor | 0.1637 |
Rwork | 0.163 |
R-free | 0.19540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fq6 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.910 | 45.910 | 1.950 |
High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
Rmerge | 0.126 | 0.057 | 0.591 |
Rmeas | 0.135 | 0.062 | 0.634 |
Total number of observations | 1055272 | ||
Number of reflections | 140666 | 1593 | 10364 |
<I/σ(I)> | 14.94 | 32.16 | 4.81 |
Completeness [%] | 99.9 | 97.9 | 99.9 |
Redundancy | 7.502 | 6.372 | 7.596 |
CC(1/2) | 0.997 | 0.997 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 287 | 1:1 27 mg/mL KlpnC.00906.a.B1.PW38994 to JCSG_TOP96(a5) (40% v/v MPD, 100 mM HEPES free acid/ NaOH, pH 6.5), harvested and frozen directly, puck: yis2-8, barcode: 321997a5 |