7VZZ
The structure of GdmN in complex with the natural tetrahedral intermediate, carbamoyl adenylate, and 20-O-methyl-19-chloroproansamitocin
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 | 2019-04-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 111.860, 111.860, 231.272 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.700 - 2.850 |
R-factor | 0.1778 |
Rwork | 0.175 |
R-free | 0.22520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ven |
RMSD bond length | 0.010 |
RMSD bond angle | 1.098 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.118 | 0.500 |
Number of reflections | 39792 | 1921 |
<I/σ(I)> | 27.6 | |
Completeness [%] | 100.0 | |
Redundancy | 15.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | Lithium sulfate monohydrate, Polyethylene glycol 3,350, Tris |