7RCG
I-OnuI_e-hPD1-f final stage reengineered variant of I-OnuI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 108 |
Detector technology | CCD |
Collection date | 2019-07-23 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.195, 64.903, 165.063 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.952 - 2.368 |
R-factor | 0.2063 |
Rwork | 0.201 |
R-free | 0.25060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qqy |
RMSD bond length | 0.004 |
RMSD bond angle | 0.674 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.450 |
High resolution limit [Å] | 2.368 | 5.100 | 2.370 |
Rmerge | 0.068 | 0.045 | 0.216 |
Rmeas | 0.076 | 0.052 | 0.243 |
Rpim | 0.033 | 0.026 | 0.108 |
Number of reflections | 19975 | 1794 | 1926 |
<I/σ(I)> | 11.5 | ||
Completeness [%] | 97.3 | 80.6 | 97.4 |
Redundancy | 5 | 3.2 | 4.7 |
CC(1/2) | 0.997 | 0.960 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100mM HEPES pH 7.5, 200mM ammonium sulfate, 28% PEG 3350 |