6KV0

Ferredoxin I from C. reinhardtii, high 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	RAYONIX MX225HE
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	25.820, 32.300, 49.930
Unit cell angles	72.27, 78.09, 72.22

Refinement procedure

Resolution	28.718 - 1.400
R-factor	0.1757
Rwork	0.175
R-free	0.18740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.234
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]	29.710	29.710	1.420
High resolution limit [Å]	1.400	7.540	1.400
Rmerge	0.101	0.066	0.439
Rmeas	0.117	0.077	0.508
Rpim	0.059	0.039	0.256
Total number of observations		679	5348
Number of reflections	54425	185	1368
<I/σ(I)>	8.1	14.4	2.8
Completeness [%]	95.4	97.9	92.9
Redundancy	3.9	3.7	3.9
CC(1/2)	0.992	0.993	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.6	293	Ammonium sulfate Sodium citrate Sodium thiocyanate Benzamidine Hydrochloride