7JGQ

Crystal Structure of the Ni-bound Human Heavy-chain variant 122H-delta C-star with 2,5-furandihyrdoxamate collected at 278K after one heating/cooling cycle

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	278
Detector technology	CCD
Collection date	2019-09-03
Detector	APEX II CCD
Wavelength(s)	1.5418
Spacegroup name	I 4 3 2
Unit cell lengths	156.142, 156.142, 156.142
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.380 - 3.010
R-factor	0.2005
Rwork	0.195
R-free	0.25110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cmq
RMSD bond length	0.002
RMSD bond angle	0.520
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]	49.380	3.120
High resolution limit [Å]	3.010	3.010
Number of reflections	12219	1124
<I/σ(I)>	11.4
Completeness [%]	100.0
Redundancy	11.4
CC(1/2)	0.973	0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Reservoir: 500 uL total volume: 50 mM CHES (pH 9.5), 150 mM NaCl, 0.474 mM NiCl2, 12.6% PEP Sitting Drop: 12.7 uL reservoir, 3.3 uL of 25 uM ferritin, 4 uL of 10 mM fdh in 50 mM CHES (pH 9.5) with 150 mM NaCl