1I4Y

THE CRYSTAL STRUCTURE OF PHASCOLOPSIS GOULDII WILD TYPE METHEMERYTHRIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	CCD
Collection date	1998-04-08
Detector	BRUKER SMART 2000
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	55.428, 130.637, 73.040
Unit cell angles	90.00, 99.12, 90.00

Refinement procedure

Resolution	72.120 - 1.800
R-factor	0.2 *
Rwork	0.224
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hmq
RMSD bond length	0.014
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.120	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.076	0.315
Number of reflections	78659
<I/σ(I)>	6.56
Completeness [%]	83.0	62.1
Redundancy	1.47	1.38

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	281.65	PEG 4000, Glycerol, HEPES, sodium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 281.65K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mgHr/mL)
2	1	reservoir	PEG4000	20 (%(w/v))
3	1	reservoir	glycerol	25 (%(w/v))