6LS2

Marsupenaeus japonicus ferritin mutant (T158H) pH 4.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	273.15
Detector technology	PIXEL
Collection date	2019-05-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 2 3
Unit cell lengths	117.435, 117.435, 117.435
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.500 - 1.600
R-factor	0.1711
Rwork	0.170
R-free	0.18960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a4u
RMSD bond length	0.015
RMSD bond angle	1.651
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.127	0.060	1.031
Rmeas	0.130	0.062	1.060
Rpim	0.030	0.014	0.245
Total number of observations	1357878
Number of reflections	71219	7387	7062
<I/σ(I)>	3.6
Completeness [%]	100.0	100	100
Redundancy	19.1	19.3	18.6
CC(1/2)		0.999	0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	2M NaCl, 100 mM KH2PO3/NaHPO3 pH 4.0