7QEA
Crystal structure of fluorescein-di-Beta-D-glucuronide bound to a mutant of SN243 (D415A)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 1 |
Unit cell lengths | 63.268, 81.565, 93.393 |
Unit cell angles | 66.64, 89.38, 89.57 |
Refinement procedure
Resolution | 51.113 - 2.280 |
R-factor | 0.2012 |
Rwork | 0.198 |
R-free | 0.25230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7qe1 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 74.880 | 74.880 | 2.400 |
High resolution limit [Å] | 2.280 | 7.210 | 2.280 |
Rmerge | 0.095 | 0.045 | 0.876 |
Rmeas | 0.124 | 0.058 | 1.151 |
Rpim | 0.079 | 0.036 | 0.737 |
Total number of observations | 171343 | 5068 | 25317 |
Number of reflections | 75860 | 2301 | 11114 |
<I/σ(I)> | 3.8 | 9.3 | 0.8 |
Completeness [%] | 97.0 | 93.1 | 97.2 |
Redundancy | 2.3 | 2.2 | 2.3 |
CC(1/2) | 0.992 | 0.993 | 0.452 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M MES pH 6.5, 0.01 M ZnSO4 and 25% PEG MME 550 |