6J13

Redox protein from Chlamydomonas reinhardtii

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	2017-06-07
Detector	RAYONIX MX300HE
Wavelength(s)	0.90000
Spacegroup name	C 2 2 21
Unit cell lengths	134.990, 419.230, 94.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.370 - 2.400
R-factor	0.21706
Rwork	0.215
R-free	0.25080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qmv
RMSD bond length	0.014
RMSD bond angle	1.913
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.370	2.450
High resolution limit [Å]	2.400	2.400
Rmerge	0.111	0.972
Number of reflections	103254	7647
<I/σ(I)>	6.72	1.51
Completeness [%]	98.9	99.9
Redundancy	3.69	1.96
CC(1/2)	0.994	0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	277	PEG 3350, Sodium thiocyanate, HEPES