7JGK

Crystal Structure of the Ni-bound Human Heavy-chain variant 122H-delta C-star with 2,5-furandihyrdoxamate collected at 100K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	I 4 3 2
Unit cell lengths	155.990, 155.990, 155.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.770 - 2.680
R-factor	0.1993
Rwork	0.197
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cmq
RMSD bond length	0.012
RMSD bond angle	1.208
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.770	2.810
High resolution limit [Å]	2.680	2.680
Number of reflections	9313	1223
<I/σ(I)>	7.1
Completeness [%]	99.2
Redundancy	4.9
CC(1/2)	0.994	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Reservoir: 500 uL total volume: 31 mM CHES (pH 10), 93 mM NaCl, 0.474 mM NiCl2, 12% PEP Sitting Drop: 7.6 uL reservoir, 2 uL of 25 uM ferritin, 2.4 uL of 10 mM H2fdh in 50 mM CHES (pH 9.5) with 150 mM NaCl