6WYH

Crystal structure of Human H-chain Ferritin variant 157C Delta C-star Modified with a RAFT Agent Soaked in an Acrylate Solution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	H 3 2
Unit cell lengths	128.880, 128.880, 291.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	97.270 - 2.220
R-factor	0.1985
Rwork	0.193
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b8f
RMSD bond length	0.004
RMSD bond angle	0.613
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.270	2.290
High resolution limit [Å]	2.220	2.220
Number of reflections	46081	4179
<I/σ(I)>	4.4	1.5
Completeness [%]	99.4	99.1
Redundancy	3.5
CC(1/2)	0.972	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	5 uL reservoir + 5 uL of 25 uM 157C delta C-star Human H-chain Ferritin in 15 mM HEPES, pH 7.0 against reservoir of 500 uL 50 mM MES, pH 6.5, 6 mM calcium chloride; crystals soaked in 1 M sodium acrylate, 50 mM calcium chloride, 25 mM MES, pH 6.5