7CUE

Crystal structure of HID2 bound to human Hemoglobin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-18
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	178.500, 52.760, 129.170
Unit cell angles	90.00, 118.35, 90.00

Refinement procedure

Resolution	43.460 - 2.750
R-factor	0.2146
Rwork	0.212
R-free	0.25880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cud 4ni0
RMSD bond length	0.006
RMSD bond angle	1.516
Data reduction software	MOSFLM (7.2.2)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.200	2.900
High resolution limit [Å]	2.750	2.750
Rmerge	0.110	0.582
Rpim	0.056	0.326
Number of reflections	24514	3018
<I/σ(I)>	8.7	2
Completeness [%]	87.9
Redundancy	4.7
CC(1/2)	0.991	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293.15	23% PEG 3350 (w/v), 100mM ammonium sulfate, 100mM BIS-TRIS