4MJB

Synechocystis sp. PCC 6803 glutaredoxin A-A79S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	90
Detector technology	CCD
Collection date	2013-07-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.2830
Spacegroup name	P 21 21 21
Unit cell lengths	37.175, 38.142, 51.629
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.678 - 2.111
R-factor	0.1941
Rwork	0.190
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qmx
RMSD bond length	0.004
RMSD bond angle	0.960
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.110
Rmerge	0.045
Number of reflections	4418
<I/σ(I)>	20.2
Completeness [%]	99.3
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	1.5M Ammonium Sulfate, 1% PEG400, 10mM HEPES, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K