6OIV
XFEL structure of Escherichia coli dGTPase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE XPP |
| Synchrotron site | SLAC LCLS |
| Beamline | XPP |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-06 |
| Detector | RAYONIX MX-325 |
| Wavelength(s) | 1.307 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 192.589, 192.589, 291.254 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.200 - 3.060 |
| R-factor | 0.226 |
| Rwork | 0.225 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6oi7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.150 |
| Data reduction software | cctbx.xfel |
| Data scaling software | cctbx.prime |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 3.120 |
| High resolution limit [Å] | 3.060 | 3.060 |
| Rmerge | 0.660 | |
| Rmeas | 0.840 | |
| Number of reflections | 103325 | 4041 |
| <I/σ(I)> | 6.1 | 0.8 |
| Completeness [%] | 97.9 | 91.4 |
| Redundancy | 7.3 | 3.3 |
| CC(1/2) | 0.320 | 0.230 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 279 | 0.1 M Tris-HCl pH 8.0 and 1.6 M Ammonium Sulfate |
