6DJ8
Structure of DNA polymerase III subunit beta from Borrelia burgdorferi in complex with a natural product
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 | 2017-10-11 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 84.380, 68.290, 86.320 |
Unit cell angles | 90.00, 113.70, 90.00 |
Refinement procedure
Resolution | 42.000 - 2.050 |
R-factor | 0.203 |
Rwork | 0.202 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (DEV_3126) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.000 | 42.000 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.040 | 0.487 |
Rmeas | 0.046 | 0.033 |
Total number of observations | 232442 | |
Number of reflections | 56445 | 663 |
<I/σ(I)> | 19.17 | 2.36 |
Completeness [%] | 99.5 | 96.7 |
Redundancy | 4.118 | 3.674 |
CC(1/2) | 0.999 | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | Morpheus Screen G4: 0.02M each Sodium formate, Ammonium acetate, Sodium citrate tribasic dihydrate, Sodium potassium tartrate tetrahydrate, Sodium oxamate: 0.1 M Imidazole/MES buffer pH 6.5, 12.5% MPD, 12.5% PEG 1000, 12.5% PEG3350: mixed 0.4:0.4 with BobuA.17987.a.B1.PW38224 at 20mg/ml. Co-crystallized with 1mM Griselmycin: direct cryo: tray 292391G4: puck YYX8-8 |