7VYP
The structure of GdmN complex with the natural tetrahedral intermediate, carbamoylated derivative, and AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-02 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 111.029, 111.029, 231.276 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.760 - 2.880 |
R-factor | 0.1685 |
Rwork | 0.166 |
R-free | 0.21560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ven |
RMSD bond length | 0.009 |
RMSD bond angle | 1.058 |
Data reduction software | HKL-3000 (v716.1) |
Data scaling software | HKL-3000 (v716.1) |
Phasing software | PHENIX (1.19.2_4158) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.930 |
High resolution limit [Å] | 2.880 | 2.880 |
Rmerge | 0.129 | |
Rmeas | 0.136 | |
Rpim | 0.043 | |
Number of reflections | 38176 | 1880 |
<I/σ(I)> | 21.167 | |
Completeness [%] | 100.0 | |
Redundancy | 9.8 | |
CC(1/2) | 0.989 | 0.973 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | Lithium sulfate monohydrate, Polyethylene glycol 3,350, Tris |