6WQM
Crystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate N-succinyltransferase from Bartonella henselae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-01-08 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.840, 228.220, 71.190 |
Unit cell angles | 90.00, 120.10, 90.00 |
Refinement procedure
Resolution | 46.890 - 2.150 |
R-factor | 0.207 |
Rwork | 0.206 |
R-free | 0.25280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eg4 as per MoRDa |
RMSD bond length | 0.007 |
RMSD bond angle | 0.955 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX (1.18rc7) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.890 | 46.890 | 2.210 |
High resolution limit [Å] | 2.150 | 9.620 | 2.150 |
Rmerge | 0.090 | 0.053 | 0.328 |
Rmeas | 0.093 | 0.055 | 0.354 |
Total number of observations | 1298212 | ||
Number of reflections | 101155 | 1160 | 6524 |
<I/σ(I)> | 19.06 | 34.2 | 4.81 |
Completeness [%] | 98.2 | 97.5 | 86.1 |
Redundancy | 12.834 | 14.536 | 6.505 |
CC(1/2) | 0.998 | 0.998 | 0.896 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Microlytic MCSG-1 screen, condition B9: 200mM MgCl2, 20% (w/V) PEG 3350: BaheA.00606.a.AE1.PS38599 at 31.38mg/ml, cryo: 20% EG in 2 steps, tray 312827b9, puck ocl1-1 |