6FAQ

Structure of H. salinarum RosR (vng0258) grown from KBr

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91508
Spacegroup name	P 1 21 1
Unit cell lengths	41.149, 76.406, 42.098
Unit cell angles	90.00, 109.47, 90.00

Refinement procedure

Resolution	38.200 - 1.950
R-factor	0.1908
Rwork	0.189
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SAD DERIVED MODEL IN NACL
RMSD bond length	0.002
RMSD bond angle	0.356
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.690	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.104	0.950
Rmeas	0.112	0.880
Rpim	0.041	0.730
Number of reflections	33425	5717
<I/σ(I)>	12.9	1.59
Completeness [%]	94.1	98.7
Redundancy	7.5	3.85
CC(1/2)	0.998	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	KBR, MES, AMMONIUM SULFATE, PH 6.8, EVAPORATION, TEMPERATURE 298K