3QQQ

Crystal structure of non-symbiotic plant hemoglobin from Trema tomentosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-05-07
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	55.870, 70.736, 89.587
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.560 - 1.840
R-factor	0.21495
Rwork	0.213
R-free	0.24856
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.100
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.740	1.900
High resolution limit [Å]	1.840	1.840
Rmerge	0.064	0.297
Number of reflections	23868
<I/σ(I)>	18.3	2.8
Completeness [%]	75.7	14.9
Redundancy	6.79

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	1.6M ammonium sulfate, 0.1M hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K