8GRI
Orf1-E312A-glycine-glycylthricin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 07A |
Synchrotron site | NSRRC |
Beamline | TPS 07A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-26 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 1 |
Unit cell lengths | 103.294, 108.080, 133.463 |
Unit cell angles | 89.80, 89.98, 96.34 |
Refinement procedure
Resolution | 29.672 - 2.365 |
Rwork | 0.207 |
R-free | 0.23340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7xqa |
RMSD bond length | 0.006 |
RMSD bond angle | 1.372 |
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 | 2.450 |
High resolution limit [Å] | 2.365 | 2.370 |
Rmerge | 0.086 | 0.631 |
Number of reflections | 231222 | 23159 |
<I/σ(I)> | 17.9 | 2.4 |
Completeness [%] | 99.3 | 99 |
Redundancy | 5.1 | |
CC(1/2) | 0.993 | 0.826 |
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 |