7XXR
Orf1 R342A-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 | 2022-02-25 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | P 1 |
Unit cell lengths | 103.420, 107.933, 133.424 |
Unit cell angles | 90.08, 90.01, 96.30 |
Refinement procedure
Resolution | 28.619 - 2.400 |
Rwork | 0.200 |
R-free | 0.22040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7xqa |
RMSD bond length | 0.008 |
RMSD bond angle | 1.476 |
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 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.060 | 0.642 |
Rmeas | 0.069 | 0.729 |
Rpim | 0.033 | 0.346 |
Number of reflections | 220494 | 21839 |
<I/σ(I)> | 25 | 2.7 |
Completeness [%] | 98.5 | 97.7 |
Redundancy | 4.4 | 4.3 |
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 |