7ESB
FmnB complexed with ATP
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 | 2020-10-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.089, 67.294, 86.794 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.370 - 1.700 |
Rwork | 0.171 |
R-free | 0.19670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7esa |
RMSD bond length | 0.006 |
RMSD bond angle | 0.874 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX (v1.17.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.370 | 1.764 |
High resolution limit [Å] | 1.700 | 1.703 |
Rmerge | 0.200 | |
Number of reflections | 42584 | 3873 |
<I/σ(I)> | 31.76 | |
Completeness [%] | 98.8 | |
Redundancy | 12.9 | |
CC(1/2) | 0.980 | 0.943 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 296 | 0.2M sodium formate, 20% w/v Polyethylene glycol 3350 |