1N0E

CRYSTAL STRUCTURE OF A CELL DIVISION AND CELL WALL BIOSYNTHESIS PROTEIN UPF0040 FROM MYCOPLASMA PNEUMONIAE: INDICATION OF A NOVEL FOLD WITH A POSSIBLE NEW CONSERVED SEQUENCE MOTIF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-08-13
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	78.627, 100.064, 100.851
Unit cell angles	90.00, 93.30, 90.00

Refinement procedure

Resolution	20.000 * - 2.700
R-factor	0.231
Rwork	0.231
R-free	0.27900
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	22.700 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.106 *	0.390 *
Number of reflections	42426 *	2068 *
<I/σ(I)>	18.3	3.55
Completeness [%]	98.6 *	97.5
Redundancy	7.1	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5 *	20 *	VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	28 (mg/ml)
2	1	drop		0.2 (M)
3	1	drop	Tris-HCl	0.1 (%)	pH8.5
4	1	drop	PEG3350	20 (%(w/v))
5	1	drop	glycerol	20 (%)