8DOP
Crystal structure of 2,3-diketo-5-methylthiopentyl-1-phosphate enolase-phosphatase from Klebsiella aerogenes (P1 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 | 2022-04-08 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 |
Unit cell lengths | 69.021, 71.159, 93.183 |
Unit cell angles | 108.39, 102.23, 89.99 |
Refinement procedure
Resolution | 49.410 - 2.000 |
R-factor | 0.1903 |
Rwork | 0.188 |
R-free | 0.24580 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.8) |
Phasing software | CRANK2 |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.410 | 49.410 | 2.030 |
High resolution limit [Å] | 2.000 | 10.950 | 2.000 |
Rmerge | 0.059 | 0.028 | 0.607 |
Number of reflections | 108150 | 645 | 5371 |
<I/σ(I)> | 12.2 | ||
Completeness [%] | 97.6 | 96.4 | 96.9 |
Redundancy | 3.6 | 3.7 | 3.7 |
CC(1/2) | 0.998 | 0.999 | 0.758 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | Morpheus B4: 12.5%(v/v) MPD, 12.5%(v/v) PEG 1000, 12.5%(w/v) PEG 3350, 100 mM Imidazole/MES, 30 mM NaF, 30 mM NaBr and 30 mM NaI, KlaeA.01229.a.B1 at 15 mg/mL with 2.5 GDP added. No electron density for GDP was observed, Tray: plate 12527 well B4 drop 3, Puck: PSL0811, Cryo: DIRECT |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | Morpheus B4: 12.5%(v/v) MPD, 12.5%(v/v) PEG 1000, 12.5%(w/v) PEG 3350, 100 mM Imidazole/MES, 30 mM NaF, 30 mM NaBr and 30 mM NaI, KlaeA.01229.a.B1 at 15 mg/mL with 2.5 GDP added. No electron density for GDP was observed, Tray: plate 12527 well B4 drop 3, Puck: PSL0811, Cryo: DIRECT |