357D

3.5 A structure of fragment I from E. coli 5S RRNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-04-30
Detector	FUJI
Spacegroup name	P 61 2 2
Unit cell lengths	58.670, 58.670, 248.840
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 3.500
R-factor	0.312
Rwork	0.312
R-free	0.26500
Structure solution method	MAD PHASES FROM A BROMINE WERE COMBINED WITH MAD AND SIRAS PHASES FROM A MERCURY DERIVIATIVE. MLPHARE WAS USED TO CALCULATE THE PHASES WHILE SIGMAA WAS USED TO COMBINE THE THREE PHASES SETS.
RMSD bond length	0.008 *
RMSD bond angle	1.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000 *	3.620
High resolution limit [Å]	3.500	3.500
Rmerge	0.057	0.291
Total number of observations	29667 *
Number of reflections	3602 *
<I/σ(I)>	11.3	3.7
Completeness [%]	99.5 *	95.1
Redundancy	4.9	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6 *	20 *	pH 6.40, VAPOR DIFFUSION

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	WATER
2	1	1	MGCL2
3	1	1	NA MES
4	1	1	MG SULFATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.2 (mM)
2	1	drop		5 (mM)
3	1	drop	sodium cacodylate	50 (mM)
4	1	reservoir	MPD	5-25 (%)
5	1	reservoir		5-25 (mM)
6	1	reservoir	sodium cacodylate	5-25 (mM)