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