5SW7

Structure of the Human Hemoglobin Mutant Hb Providence (A-Gly-C:V1M; B,D:V1M,K82D; Ferrous, carbonmonoxy bound)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-02-02
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	53.381, 53.381, 192.743
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.715 - 1.851
R-factor	0.1887
Rwork	0.186
R-free	0.22240
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2DN3.pdb
RMSD bond length	0.007
RMSD bond angle	0.822
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.720	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.022	0.217
Number of reflections	24374
<I/σ(I)>	26	4.2
Completeness [%]	98.4	95
Redundancy	10.6	10.8
CC(1/2)		0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.7	296	2.5M sodium/potassium phosphate