7JGP

Crystal Structure of the Ni-bound Human Heavy-chain variant 122H-delta C-star with 2,5-furandihyrdoxamate at 318K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	318
Detector technology	CCD
Collection date	2019-08-22
Detector	APEX II CCD
Wavelength(s)	1.5418
Spacegroup name	I 4 3 2
Unit cell lengths	154.100, 154.100, 154.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.910 - 6.420
R-factor	0.2532
Rwork	0.247
R-free	0.30170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cmq
RMSD bond length	0.001
RMSD bond angle	0.304
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.910	6.650
High resolution limit [Å]	6.420	6.420
Number of reflections	1225	117
<I/σ(I)>	14.3
Completeness [%]	99.6
Redundancy	17.8
CC(1/2)	0.998	0.827

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	Reservoir: 500 uL total volume: 50 mM CHES (pH 9.5), 150 mM NaCl, 0.474 mM NiCl2, 12.6% PEP Sitting Drop: 7.6 uL reservoir, 2 uL of 25 uM ferritin, 2.4 uL of 5 mM H2fdh in 50 mM CHES (pH 9.5) with 150 mM NaCl