7ERV

Crystal structure of L-histidine decarboxylase (C57S/C101V/C282V 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	2017-05-12
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.100
Spacegroup name	P 61 2 2
Unit cell lengths	114.166, 114.166, 151.191
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.810 - 2.500
R-factor	0.1865
Rwork	0.184
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f9t
RMSD bond length	0.009
RMSD bond angle	1.658
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]	37.810	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.139
Number of reflections	20646	20646
<I/σ(I)>	19.3
Completeness [%]	99.3
Redundancy	12.6
CC(1/2)		0.968

Crystallization Conditions

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