7PLE

ArsH of Paracoccus denitrificans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97857
Spacegroup name	P 32 2 1
Unit cell lengths	112.950, 112.950, 204.410
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	97.820 - 2.600
R-factor	0.3151
Rwork	0.255
R-free	0.27750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	custom homologous model
RMSD bond length	0.005
RMSD bond angle	0.809
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.820	2.690
High resolution limit [Å]	2.600	2.600
Rpim	0.108	0.226
Number of reflections	47156	4684
<I/σ(I)>	8.2
Completeness [%]	100.0	100
Redundancy	2
CC(1/2)		0.340

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	298.15	4.77 M sodium acetate, 3% w/v 6-aminohexanoic acid, 80 mM HEPES