7FE6
AvmM Catalyzes Macrocyclization in Alchivemycin A Biosynthesis
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 | 2021-06-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97915 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 73.450, 73.450, 242.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.600 - 2.500 |
R-factor | 0.194 |
Rwork | 0.190 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7fe0 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 80.800 | 80.800 | 2.600 |
High resolution limit [Å] | 2.500 | 9.010 | 2.500 |
Rmerge | 0.200 | 0.074 | 1.869 |
Rmeas | 0.206 | 0.078 | 1.928 |
Rpim | 0.051 | 0.021 | 0.468 |
Total number of observations | 380456 | 7849 | 44095 |
Number of reflections | 24010 | 627 | 2655 |
<I/σ(I)> | 11.2 | 26.6 | 1.9 |
Completeness [%] | 100.0 | 98.9 | 100 |
Redundancy | 15.8 | 12.5 | 16.6 |
CC(1/2) | 0.996 | 0.997 | 0.634 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | 0.2 M Magnesium acetate tetrahydrate, 0.1 M Sodium cacodylate 6.5 and 20 % w/v PEG 8000 |