1A7D

CHLOROMET MYOHEMERYTHRIN FROM THEMISTE ZOSTERICOLA

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	119
Detector technology	IMAGE PLATE
Collection date	1988-08
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	41.842, 81.260, 36.831
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.800
R-factor	0.18
Rwork	0.180
R-free	0.22700
RMSD bond length	0.017
RMSD bond angle	19.100 *
Data reduction software	R-AXIS
Data scaling software	R-AXIS
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000
High resolution limit [Å]	1.740	1.740 *
Rmerge	0.076
Total number of observations	91983 *
Number of reflections	12376
Completeness [%]	91.7	58.3 *
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *		27% PEG 6K, 100MM HEPES, 1.0M LICL (PH 7.0)

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	27 (%(v/v))
2	1	reservoir	HEPES	0.1 (M)
3	1	reservoir		1.0 (M)	pH7.0
4	1	drop	Tris-HCl	0.05 (M)
5	1	drop		0.2 (M)	pH8.0