1D5N

CRYSTAL STRUCTURE OF E. COLI MNSOD AT 100K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-12-10
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	99.110, 107.300, 179.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.550
R-factor	0.194
Rwork	0.194
R-free	0.23300
RMSD bond length	0.005
RMSD bond angle	1.210
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.000	1.620
High resolution limit [Å]	1.550	1.550
Rmerge	0.070	0.241
Total number of observations	848324 *
Number of reflections	135855
<I/σ(I)>	6.5
Completeness [%]	98.8	98.8
Redundancy	4.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8.5		pH 8.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	bicine	50 (M)
3	1	reservoir	PEG6000	25 (%)