8FDL

Human Hemoglobin with Nitrosochloramphenicol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-09
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	53.551, 82.683, 62.586
Unit cell angles	90.00, 100.02, 90.00

Refinement procedure

Resolution	49.410 - 1.750
R-factor	0.1541
Rwork	0.151
R-free	0.20970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p5q
RMSD bond length	0.009
RMSD bond angle	1.296
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.420	1.816
High resolution limit [Å]	1.750	1.754
Number of reflections	48508	4263
<I/σ(I)>	9.41
Completeness [%]	90.0
Redundancy	1.6	1.4
CC(1/2)	0.995	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.4	293	3.6 M ammonium phosphate/sulfate