6KUM

Ferredoxin I from C. reinhardtii, low X-ray dose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	25.878, 32.326, 49.915
Unit cell angles	72.38, 78.06, 72.39

Refinement procedure

Resolution	28.740 - 1.400
R-factor	0.1722
Rwork	0.171
R-free	0.18970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.435
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.26)
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.740	28.740	1.420
High resolution limit [Å]	1.400	7.670	1.400
Rmerge	0.109	0.113	0.302
Rmeas	0.126	0.132	0.350
Rpim	0.064	0.068	0.177
Total number of observations		611	5108
Number of reflections	54418	170	1328
<I/σ(I)>	7.9	11.7	3.8
Completeness [%]	95.7	96.6	93
Redundancy	3.8	3.6	3.8
CC(1/2)	0.987	0.966	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.6	298	Ammonium Sulfate, Sodium Citrate, Benzamidine Hydrochloride, Sodium Thiocyanate