8SBN
Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (P21 Form 1)
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 | P 1 21 1 |
Unit cell lengths | 30.905, 48.733, 65.730 |
Unit cell angles | 90.00, 95.42, 90.00 |
Refinement procedure
Resolution | 30.770 - 1.150 |
R-factor | 0.1414 |
Rwork | 0.140 |
R-free | 0.16630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.914 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.21rc1_4918: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.730 | 1.170 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmerge | 0.043 | 0.637 |
Rmeas | 0.046 | 0.738 |
Rpim | 0.018 | 0.362 |
Total number of observations | 421459 | 10653 |
Number of reflections | 68101 | 2750 |
<I/σ(I)> | 15.9 | 1.8 |
Completeness [%] | 98.6 | |
Redundancy | 6.2 | 3.9 |
CC(1/2) | 0.999 | 0.774 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | Berkeley H6: 20% (w/v) PEG 1500, 12% (w/v) 1,6-hexanediol, 100 mM MES pH5.5, 100 mM CaCl2. 2mM CoA added prior to crystallization but not observed in the electron density. KlaeA.00139.a.B1.PW39166 at 24.8 mg/mL. Plate: 13151, well H6 drop 3, Puck: PSL-1415, Cryo: 80% Berkeley H6 + 20% PEG 200 |