2VHB

AZIDE ADDUCT OF THE BACTERIAL HEMOGLOBIN FROM VITREOSCILLA STERCORARIA

Experimental procedure

Temperature [K]	100
Detector technology	IMAGE PLATE AREA DETECTOR
Collection date	1996-10
Detector	MAR RESEARCH 180MM IMAGE PLATE
Spacegroup name	P 1 21 1
Unit cell lengths	62.720, 40.190, 62.940
Unit cell angles	90.00, 106.55, 90.00

Refinement procedure

Resolution	15.000 - 1.760
R-factor	0.197 *
Rwork	0.197
Structure solution method	DIFFERENCE FOURIER
RMSD bond length	0.013
RMSD bond angle	14.254 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.830
High resolution limit [Å]	1.760	1.760
Rmerge	0.049	0.275
Total number of observations	68840 *
Number of reflections	29076
<I/σ(I)>	22	2
Completeness [%]	94.0	94.1
Redundancy	2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.4		PRECIPITANT: AMMONIUM SULFATE 1.2 M. BUFFER: PYROPHOSPHATE 0.2 M PH 6.4. ADDITIVES: ETHYLENE GLYCOL 3% V/V. PROTEIN CONCENTRATION 25 MG/ML. VAPOR DIFFUSION TECHNIQUES. AZIDE SOAKING CONDITIONS: 0.03 M N3-, 1 HOUR, PH 7.0, vapor diffusion

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium salfate	1.3 (M)
2	1	1	pyrophosphate	0.1 (M)
3	1	1	ethylene glycol	3 (%(v/v))