7XRJ
crystal structure of N-acetyltransferase DgcN-25328
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU PhotonJet-R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-29 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.5406 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 57.490, 130.800, 131.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.910 - 2.200 |
R-factor | 0.1838 |
Rwork | 0.182 |
R-free | 0.20880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2obn |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.360 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.143 | 0.385 |
Rmeas | 0.159 | 0.435 |
Rpim | 0.069 | 0.196 |
Number of reflections | 25305 | 2118 |
<I/σ(I)> | 11.9 | 4.4 |
Completeness [%] | 99.0 | 97.6 |
Redundancy | 4.9 | 4.3 |
CC(1/2) | 0.980 | 0.915 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M NaCl, 0.1 M Bis-Tris (pH 6.5) and 1.5 M (NH4)2SO4 |