7MWA

Crystal structure of 2-octaprenyl-6-methoxyphenol hydroxylase UbiH from Acinetobacter baumannii, apoenzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-07-24
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.548
Spacegroup name	C 1 2 1
Unit cell lengths	199.378, 71.680, 111.261
Unit cell angles	90.00, 118.94, 90.00

Refinement procedure

Resolution	30.000 - 2.600
R-factor	0.2021
Rwork	0.200
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k22
RMSD bond length	0.002
RMSD bond angle	0.492
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MrBUMP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.086	0.506
Rpim	0.047	0.318
Number of reflections	42324	1940
<I/σ(I)>	12.33	1.12
Completeness [%]	99.0	89.8
Redundancy	4.1	3
CC(1/2)		0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	0.2 M magnesium chloride, 0.1 M sodium citrate pH 5, 10% (w/v) PEG 20K. Cryoprotectant 25% (w/v) ethylene glycol