7JGM

Crystal Structure of the Ni-bound Human Heavy-chain variant 122H-delta C-star with meta-benzenedihyrdoxamate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	213.550, 213.750, 155.930
Unit cell angles	90.00, 90.05, 90.00

Refinement procedure

Resolution	38.460 - 2.310
R-factor	0.1929
Rwork	0.187
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cmq
RMSD bond length	0.009
RMSD bond angle	0.999
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.370
High resolution limit [Å]	2.310	2.310
Number of reflections	598668	44404
<I/σ(I)>	10.8
Completeness [%]	98.2
Redundancy	3.5
CC(1/2)	0.997	0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Reservoir: 500 uL total volume: 40 mM CHES (pH 8.5), 120 mM NaCl, 0.474 mM NiCl2, 10% PEP Sitting Drop: 7.6 uL reservoir, 2 uL of 25 uM ferritin, 2.4 uL of 5 mM m-bdh in 50 mM CHES (pH 9.5) with 150 mM NaCl