7RCD
Second stage reengineered variant of I-OnuI targeting human PD1 gene with activity enhancing substitutions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 108 |
Detector technology | PIXEL |
Collection date | 2019-08-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.614, 64.457, 169.913 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.478 - 2.448 |
R-factor | 0.2396 |
Rwork | 0.235 |
R-free | 0.27680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qqy |
RMSD bond length | 0.003 |
RMSD bond angle | 0.511 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX (1.10) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.448 | 5.280 | 2.450 |
Rmerge | 0.038 | 0.032 | 0.166 |
Rmeas | 0.043 | 0.036 | 0.183 |
Rpim | 0.018 | 0.016 | 0.077 |
Number of reflections | 17555 | 1912 | 1683 |
<I/σ(I)> | 23.3 | ||
Completeness [%] | 99.8 | 99.6 | 100 |
Redundancy | 5.7 | 5.3 | 5.5 |
CC(1/2) | 0.999 | 0.984 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100mM HEPES pH 7.0, 200mM ammonium sulfate, 25% PEG 3350 |