7UBQ
The crystal structure of the wild-type of E. coli YGGS in complex with PNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-08-18 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 1.5406 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 128.363, 128.363, 42.446 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.703 - 2.600 |
R-factor | 0.1807 |
Rwork | 0.177 |
R-free | 0.25190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w8g |
Data reduction software | CrysalisPro (41.64.69a) |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.703 | 28.700 | 2.720 |
High resolution limit [Å] | 2.600 | 9.010 | 2.600 |
Rmerge | 0.140 | 0.029 | 0.590 |
Rmeas | 0.159 | 0.033 | 0.669 |
Rpim | 0.074 | 0.016 | 0.310 |
Total number of observations | 1214 | 5918 | |
Number of reflections | 11385 | 308 | 1354 |
<I/σ(I)> | 10.7 | 30.2 | 2.9 |
Completeness [%] | 99.6 | 94.8 | 100 |
Redundancy | 4.3 | 3.9 | 4.4 |
CC(1/2) | 0.991 | 0.999 | 0.817 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 35% Dioxane |