6UCZ
Crystal structure of dihydropteroate synthase from Anaplasma phagocytophilum with bound 6-hydroxymethylpterin-monophosphate
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 | 2019-07-25 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.830, 81.480, 71.170 |
Unit cell angles | 90.00, 102.67, 90.00 |
Refinement procedure
Resolution | 38.750 - 2.000 |
R-factor | 0.1639 |
Rwork | 0.162 |
R-free | 0.19750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6omz |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.750 | 38.750 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.045 | 0.016 | 0.342 |
Rmeas | 0.052 | 0.019 | 0.425 |
Total number of observations | 132591 | ||
Number of reflections | 36233 | 433 | 2290 |
<I/σ(I)> | 19.42 | 56.95 | 2.91 |
Completeness [%] | 98.2 | 97.7 | 84.1 |
Redundancy | 3.659 | 3.51 | 2.715 |
CC(1/2) | 0.999 | 0.999 | 0.912 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 290 | 1:1 20 mg/mL AnphA.01019.a.A1.PW27052 in 2.5 mM Ptp, 100 mM sodium cacodylate/HCl, pH 6.5, 20% w/v PEG8000, 200 mM magnesium acetate against 100 mM sodium citrate tribasic/HCl, pH 5.5, 20% w/v PEG3000, cryoprotectant: 20% ethylene glycol, 2.5 mM Ptp, tray 311087h9, puck tni6-6 |