1J6V

CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, C2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 32-ID
Synchrotron site	APS
Beamline	32-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2000-09-05
Detector	MARRESEARCH
Wavelength(s)	0.9641
Spacegroup name	C 1 2 1
Unit cell lengths	51.190, 70.140, 49.730
Unit cell angles	90.00, 112.03, 90.00

Refinement procedure

Resolution	35.000 - 2.100
R-factor	0.196 *
Rwork	0.196
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.400
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.053 *	0.074 *
Number of reflections	9260
<I/σ(I)>	12.9
Completeness [%]	98.1 *	100
Redundancy	3.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	4 *	PEG MME 5000, MES, BME, NaCl, , pH 6.5, VAPOR DIFFUSION, HANGING DROP at 277K, temperature 277.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG5000 MME	26 (%)
2	1	reservoir	MES	100 (mM)
3	1	reservoir	beta-mercaptoethanol	30 (mM)
4	1	drop	protein	19 (mg/ml)