6OTT
Structure of PurF in complex with ppApp
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 115.230, 156.830, 107.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.607 - 2.550 |
R-factor | 0.2252 |
Rwork | 0.223 |
R-free | 0.26140 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.607 | 47.607 | 2.620 |
High resolution limit [Å] | 2.550 | 11.400 | 2.550 |
Rmerge | 0.106 | 0.045 | 1.270 |
Rmeas | 0.117 | 0.050 | 1.388 |
Total number of observations | 186253 | ||
Number of reflections | 32044 | 409 | 2344 |
<I/σ(I)> | 8.98 | 27.11 | 1.01 |
Completeness [%] | 99.8 | 98.3 | 100 |
Redundancy | 5.812 | 5.516 | 6.182 |
CC(1/2) | 0.998 | 0.997 | 0.523 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | Well buffer: 0.1 M HEPES 7.5, 22% PEG-3350, 4% isopropanol Protein: PurF (25mg/mL) with 5 mM ppApp and 10 mM MgCl2 |