5UP8

Crystal Structure of the Zn-bound Human Heavy-Chain variant 122H-delta C-star with para-benzenedihydroxamate

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	2015-07-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	I 4 3 2
Unit cell lengths	155.810, 155.810, 155.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.270 - 2.631
R-factor	0.212
Rwork	0.209
R-free	0.26200
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.270	2.750
High resolution limit [Å]	2.630	2.630
Rmerge	0.189	1.658
Number of reflections	9926
<I/σ(I)>	12.5	2.3
Completeness [%]	100.0	100
Redundancy	10.3	23
CC(1/2)	0.999	0.554

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	Reservoir: 500 uL total volume: 50 mM CHES (pH 8.5), 150 mM NaCl, 0.14 mM ZnCl2 Sitting Drop: 8.6 uL reservoir, 1 uL of 12.5 uM ferritin, 2.4 uL of 5 mM p-H2bdh in 50 mM CHES (pH 9.5) with 150 mM NaCl