8FDN

Human Hemoglobin with N-tertbutylhydroxylamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-12
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.5418
Spacegroup name	P 41
Unit cell lengths	53.262, 53.262, 192.545
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.660 - 2.200
R-factor	0.2204
Rwork	0.217
R-free	0.29060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p5q
RMSD bond length	0.014
RMSD bond angle	1.487
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.670	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	26841	2518
<I/σ(I)>	12.46
Completeness [%]	98.2
Redundancy	1.8
CC(1/2)	0.988	0.289

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		298	3.2 M sodium/potassium phosphate