7E36
A [6+4]-cycloaddition adduct is the biosynthetic intermediate in streptoseomycin biosynthesis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97917 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.280, 104.990, 75.950 |
Unit cell angles | 90.00, 95.95, 90.00 |
Refinement procedure
Resolution | 51.000 - 2.000 |
R-factor | 0.166 |
Rwork | 0.165 |
R-free | 0.20510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tvl |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 75.540 | 75.540 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.100 | 0.037 | 0.573 |
Rmeas | 0.119 | 0.044 | 0.700 |
Rpim | 0.063 | 0.024 | 0.397 |
Total number of observations | 180663 | 1913 | 11297 |
Number of reflections | 54007 | 633 | 3917 |
<I/σ(I)> | 7.3 | 14.4 | 1.7 |
Completeness [%] | 99.7 | 99.5 | 97.4 |
Redundancy | 3.3 | 3 | 2.9 |
CC(1/2) | 0.992 | 0.996 | 0.619 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295.15 | 1.6 M magnesium sulfate, 0.1 M MES monohydrate pH 6.5 |