2R50

The crystal structure of nonsymbiotic corn hemoglobin 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-01-23
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	50.754, 89.734, 157.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.060 - 2.200
R-factor	0.203
Rwork	0.201
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d8u
RMSD bond length	0.026
RMSD bond angle	1.779
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.050	0.240
Number of reflections	35371
<I/σ(I)>	19.3	6.4
Completeness [%]	99.6	97.6
Redundancy	6.67	5.24

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	0.1M Sodium Acetate, 0.2M Ammonium Sulfate, 20% PEG MME 1900, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K