5VGU

Structure of Halothece sp. PCC 7418 CcmK4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976484
Spacegroup name	P 21 21 2
Unit cell lengths	99.957, 93.997, 72.815
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.129 - 1.807
R-factor	0.158508434874
Rwork	0.158
R-free	0.18502
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a10
RMSD bond length	0.009
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.130	1.900
High resolution limit [Å]	1.807	1.807
Rmerge	0.093	0.856
Number of reflections	63270	9046
<I/σ(I)>	23.2	3.4
Completeness [%]	99.7	99
Redundancy	14.7	14.8
CC(1/2)	0.999	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	40% MPD, 0.1 M HEPES pH 7.0