4MJC

Synechocystis sp. PCC 6803 glutaredoxin A - P84R

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	2013-01-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1270
Spacegroup name	P 21 21 21
Unit cell lengths	37.230, 38.820, 50.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.870 - 1.409
R-factor	0.1821
Rwork	0.178
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qmx
RMSD bond length	0.009
RMSD bond angle	1.298
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.500
High resolution limit [Å]	1.400	1.400
Rmerge	0.067	0.319
Number of reflections	14533
<I/σ(I)>	9.6	3.2
Completeness [%]	98.8	99.8
Redundancy	3.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	1.5M Ammonium Sulfate, 1% PEG 400, 10mM HEPES, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K