8JQQ

Protocatecuate hydroxylase from Xylophilus ampelinus C347T mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	66.961, 87.816, 128.617
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.380 - 2.060
R-factor	0.2286
Rwork	0.227
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k0i
RMSD bond length	0.002
RMSD bond angle	0.433
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.0.32)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.200	2.120
High resolution limit [Å]	2.060	2.060
Rmerge	0.084	0.648
Rpim	0.035	0.271
Number of reflections	47447	24350
<I/σ(I)>	16.4	3.2
Completeness [%]	100.0	100
Redundancy	6.6	6.7
CC(1/2)	0.988	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	10% PEG 8000, 0.24 M Calcium acetate, 0.1 M Imidazole