8Q0R
X-ray structure of MNEI mutant Mut9 (E23A, C41A, Y65R, S76Y)
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 134.120, 31.290, 46.100 |
Unit cell angles | 90.00, 108.65, 90.00 |
Refinement procedure
Resolution | 35.580 - 1.550 |
Rwork | 0.221 |
R-free | 0.27470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.625 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.580 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.043 | 0.489 |
Rmeas | 0.052 | 0.612 |
Rpim | 0.028 | 0.360 |
Number of reflections | 27470 | 1225 |
<I/σ(I)> | 16.3 | 2.3 |
Completeness [%] | 94.7 | 84.6 |
Redundancy | 3.3 | 2.8 |
CC(1/2) | 0.999 | 0.690 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 30-33% PEG4K, 0.1 M sodium acetate buffer pH 4.5 and 0.2 M ammonium sulfate |