5ZG8

Crystal Structure of TtNRS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM16
Synchrotron site	ESRF
Beamline	BM16
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.976
Spacegroup name	P 31 2 1
Unit cell lengths	67.294, 67.294, 189.117
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	2.440 - 2.400
R-factor	0.1579
Rwork	0.155
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x54
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.761	2.440
High resolution limit [Å]	2.399	2.399
Rmerge	0.105	0.571
Number of reflections	19150	993
<I/σ(I)>	7.48
Completeness [%]	94.7
Redundancy	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2M Ammonium sulfate, 0.1M Sodium cacodylate trihydrate pH 6.5, 30%(w/v) Polyethylene glycol 8,000