5HJH

Dps4 from Nostoc punctiforme in complex with Fe ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97240
Spacegroup name	P 63
Unit cell lengths	100.310, 100.310, 145.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.422 - 1.880
R-factor	0.1586
Rwork	0.158
R-free	0.19310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hjf
RMSD bond length	0.007
RMSD bond angle	0.955
Data reduction software	XDS
Data scaling software	Aimless (0.5.2)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.550	48.550	1.950
High resolution limit [Å]	1.880	7.280	1.880
Rmerge	0.066	0.068	0.993
Rpim	0.035	0.037	0.529
Total number of observations	288333	4536	28591
Number of reflections	67029
<I/σ(I)>	12.3	34.9	1.7
Completeness [%]	99.6	98	99
Redundancy	4.3	3.9	4.4
CC(1/2)	0.997	0.993	0.673

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	25% SOKALAN HP 66, 0.1 M HEPES pH 7.0 and 0.2 M NaOAc