7Q0Y
Crystal structure of CTX-M-14 in complex with Bortezomib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.303, 62.331, 86.244 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.120 - 1.300 |
R-factor | 0.1284 |
Rwork | 0.128 |
R-free | 0.14390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gth |
RMSD bond length | 0.010 |
RMSD bond angle | 1.224 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.460 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmeas | 0.073 | 0.527 |
Number of reflections | 55064 | 38038 |
<I/σ(I)> | 16.89 | 3.59 |
Completeness [%] | 99.0 | 93 |
Redundancy | 7.1 | |
CC(1/2) | 1.000 | 0.971 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 30 % PEG8000, 0.2 M lithium sulfate, 0.1 M sodium acetate |