8FQR
Apo ADC-212 beta-lactamase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-03-23 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.388, 69.805, 55.124 |
Unit cell angles | 90.00, 114.96, 90.00 |
Refinement procedure
Resolution | 49.980 - 1.240 |
R-factor | 0.1592 |
Rwork | 0.158 |
R-free | 0.17700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4u0x |
RMSD bond length | 0.007 |
RMSD bond angle | 0.961 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (v1.19) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.980 | 1.310 |
High resolution limit [Å] | 1.240 | 1.240 |
Rmerge | 0.029 | 0.455 |
Rmeas | 0.034 | 0.539 |
Rpim | 0.018 | 0.285 |
Total number of observations | 297334 | 40509 |
Number of reflections | 83353 | 11584 |
<I/σ(I)> | 18 | 2.5 |
Completeness [%] | 87.4 | |
Redundancy | 3.6 | 3.5 |
CC(1/2) | 0.999 | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1 M SPG, 25% w/v PEG 1500 |