5ZIQ

Crystal structure of hexacoordinated heme protein from anhydrobiotic tardigrade at pH 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-08
Detector	RAYONIX MX300HE
Wavelength(s)	0.9000
Spacegroup name	P 1
Unit cell lengths	43.359, 59.185, 67.521
Unit cell angles	115.36, 97.98, 97.43

Refinement procedure

Resolution	50.010 - 1.500
R-factor	0.14914
Rwork	0.147
R-free	0.19392
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.412
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.030
Number of reflections	91088
<I/σ(I)>	23.01
Completeness [%]	96.9
Redundancy	2
CC(1/2)		0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	PEG 4000, ammonium sulfate, sodium acetate