7ERU

Crystal structure of L-histidine decarboxylase (C57S mutant) from Photobacterium phosphoreum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-03
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.100
Spacegroup name	P 61 2 2
Unit cell lengths	111.434, 111.434, 126.642
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.130 - 2.850
R-factor	0.1893
Rwork	0.186
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f9t
RMSD bond length	0.008
RMSD bond angle	1.577
Data reduction software	HKL-2000 (2.3.10)
Data scaling software	HKL-2000 (2.3.10)
Phasing software	MOLREP (11.0.05)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.930
High resolution limit [Å]	2.850	2.850
Rmerge	0.103
Number of reflections	11390	11390
<I/σ(I)>	27.7
Completeness [%]	99.9
Redundancy	18.7
CC(1/2)		0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	PEG1000, sodium acetate