7JGN

Crystal Structure of the Zn-bound Human Heavy-chain variant 122H-delta C-star with meta-benzenedihyrdoxamate collected at 100K

This is a non-PDB format compatible entry.

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	2018-06-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	215.750, 215.460, 156.460
Unit cell angles	90.00, 89.95, 90.00

Refinement procedure

Resolution	37.800 - 2.070
R-factor	0.1889
Rwork	0.184
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cmq
RMSD bond length	0.008
RMSD bond angle	0.898
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	2.120
High resolution limit [Å]	2.070	2.070
Number of reflections	843866	62629
<I/σ(I)>	9.95
Completeness [%]	97.6
Redundancy	3.5
CC(1/2)	0.997	0.541

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 ZnCl2, 12.6% PEP Sitting Drop: 7.6 uL reservoir, 2 uL of 25 uM ferritin, 2.4 uL of 10 mM m-bdh in 50 mM CHES (pH 9.5) with 150 mM NaCl