7QG4
Apo crystal structure of a mutant of SN243 (D415N)
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 | 62.396, 82.413, 92.077 |
Unit cell angles | 113.33, 90.43, 90.94 |
Refinement procedure
Resolution | 75.770 - 2.080 |
R-factor | 0.2489 |
Rwork | 0.249 |
R-free | 0.25080 |
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 | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 75.980 | 75.980 | 2.190 |
High resolution limit [Å] | 2.080 | 6.570 | 2.080 |
Rmerge | 0.111 | 0.055 | 1.991 |
Rmeas | 0.131 | 0.065 | 2.353 |
Rpim | 0.070 | 0.035 | 1.248 |
Total number of observations | 347587 | 10826 | 51390 |
Number of reflections | 100349 | 3204 | 14579 |
<I/σ(I)> | 5.3 | 17.7 | 0.6 |
Completeness [%] | 97.8 | 98.5 | 97 |
Redundancy | 3.5 | 3.4 | 3.5 |
CC(1/2) | 0.995 | 0.994 | 0.404 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES pH 6.5, 0.01 M ZnSO4 and 25% PEG MME 550 |