8JSY
Dihydrofolate reductase-like enzyme from Leptospira interrogans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-12-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.99999 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 85.242, 137.357, 236.873 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.900 - 2.550 |
R-factor | 0.1991 |
Rwork | 0.197 |
R-free | 0.24740 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.231 |
Data reduction software | XDS (Mar 15, 2019 BUILT=20191211) |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHENIX (1.14_3260) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.900 | 2.590 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.056 | 0.691 |
Rmeas | 0.061 | 0.807 |
Rpim | 0.025 | 0.411 |
Number of reflections | 91312 | 4479 |
<I/σ(I)> | 17.5 | 2.1 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 5.7 | |
CC(1/2) | 0.998 | 0.688 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 289 | 100 mM sodium acetate, 200 mM ammonium sulfate, 25-27% PEG 550 MME |