7Q91
Crystal Structure of Agrobacterium tumefaciens NADQ, native form.
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97624 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.308, 133.339, 86.863 |
Unit cell angles | 90.00, 100.10, 90.00 |
Refinement procedure
Resolution | 44.210 - 2.310 |
R-factor | 0.1994 |
Rwork | 0.199 |
R-free | 0.24510 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.003 |
RMSD bond angle | 0.538 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.960 | 2.393 |
High resolution limit [Å] | 2.310 | 2.310 |
Rmerge | 0.057 | 0.472 |
Rmeas | 0.081 | 0.667 |
Number of reflections | 57031 | 5677 |
<I/σ(I)> | 9.34 | 1.71 |
Completeness [%] | 99.6 | 99.49 |
Redundancy | 1.9 | 1.9 |
CC(1/2) | 0.996 | 0.571 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | reservoir 150 mM di-Sodium DL-malate, pH 7.0, 20% (w/v) PEG 3350. |