7TNC
M13F/G116F Pseudomonas aeruginosa azurin
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] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 49.274, 73.901, 77.616 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.000 - 1.470 |
R-factor | 0.2061 |
Rwork | 0.204 |
R-free | 0.23730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4azu |
RMSD bond length | 0.006 |
RMSD bond angle | 0.865 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.000 | 1.523 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.094 | 0.345 |
Rmeas | 0.103 | 0.395 |
Number of reflections | 24023 | 2009 |
<I/σ(I)> | 8.87 | 2.7 |
Completeness [%] | 99.0 | |
Redundancy | 6 | |
CC(1/2) | 0.995 | 0.891 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | The 1.4 mM apo-protein was prepared in 100 mM pH=5.6 NaOAc buffer. For each well, add 300 uL reservoir buffer containing 100 mM pH=8.0 Tris-HCl, 10 mM CuSO4 and 20% PEG-4000. 3 uL of protein stock was mixed with 1 uL reservoir buffer on the glass slides and sealed on the wells. Diamond-shaped blue crystals grew within 4 days. |