7XXC
Orf1-glycine-glycylthricin complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2021-03-13 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | P 1 |
Unit cell lengths | 103.471, 108.062, 134.557 |
Unit cell angles | 89.75, 90.08, 96.50 |
Refinement procedure
Resolution | 27.822 - 1.989 |
Rwork | 0.198 |
R-free | 0.22090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7xqa |
RMSD bond length | 0.007 |
RMSD bond angle | 1.423 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.060 |
High resolution limit [Å] | 1.989 | 1.990 |
Rmerge | 0.037 | 0.260 |
Rmeas | 0.041 | 0.290 |
Rpim | 0.018 | 0.127 |
Number of reflections | 388255 | 37016 |
<I/σ(I)> | 38.1 | |
Completeness [%] | 97.5 | 93.2 |
Redundancy | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris-HCl pH8.5, 0.2 M KBr, 8 % PEG 550 MME and 8 % PEG 20000 |