406D

5'-R(*CP*AP*CP*CP*GP*GP*AP*UP*GP*GP*UP*(BRO) UP*CP*GP*GP*UP*G)-3'

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1995-11-10
Detector	MARRESEARCH
Spacegroup name	P 3
Unit cell lengths	39.627, 39.627, 91.018
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 1.800
R-factor	0.256 *
Rwork	0.262
R-free	0.29400
RMSD bond length	0.006
RMSD bond angle	1.030 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (0.3)
Refinement software	CNS (0.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.800	1.800 *
Rmerge	0.084	0.317 *
Number of reflections	8052
<I/σ(I)>	19.4
Completeness [%]	98.3	94.7 *
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	28 *	pH 4.50, VAPOR DIFFUSION, HANGING DROP, temperature 293.00K
1	VAPOR DIFFUSION, HANGING DROP	4.5	28 *	pH 4.50, VAPOR DIFFUSION, HANGING DROP, temperature 293.00K
1	VAPOR DIFFUSION, HANGING DROP	4.5	28 *	pH 4.50, VAPOR DIFFUSION, HANGING DROP, temperature 293.00K
1	VAPOR DIFFUSION, HANGING DROP	4.5	28 *	pH 4.50, VAPOR DIFFUSION, HANGING DROP, temperature 293.00K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 300
2	1	1	NACL
3	1	1	SODIUM ACETATE
4	1	2	PEG 300
5	1	2	NACL
6	1	2	SODIUM ACETATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG300	40 (%(v/v))
2	1	reservoir		150 (mM)
3	1	reservoir	sodium acetate	100 (mM)