9QMG

Pseudomonas putida 4-hydroxyphenylpyruvate dioxygenase in complex with Tefuryltrione (Mn)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97627
Spacegroup name	C 1 2 1
Unit cell lengths	151.190, 169.242, 79.577
Unit cell angles	90.00, 91.88, 90.00

Refinement procedure

Resolution	45.460 - 2.700
R-factor	0.2481
Rwork	0.246
R-free	0.28620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.583
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.460	2.780
High resolution limit [Å]	2.700	2.700
Rmerge	0.209	1.336
Rmeas	0.241	1.531
Rpim	0.117	0.732
Number of reflections	52972	4607
<I/σ(I)>	4	0.9
Completeness [%]	96.9
Redundancy	4
CC(1/2)	0.991	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	Morpheus C9 0.09 M NPS 0.1 M Buffer System 3 8.5 30 % v/v Precipitant Mix 1