1VJ2

Crystal structure of a novel family of manganese-containing cupin (tm1459) from thermotoga maritima at 1.65 A resolution

Replaces:  1O5N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-01-09
Detector	ADSC QUANTUM 315
Spacegroup name	P 32
Unit cell lengths	52.550, 52.550, 96.267
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.070 - 1.650
R-factor	0.21015
Rwork	0.208
R-free	0.24900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fi2
RMSD bond length	0.018
RMSD bond angle	1.650 *
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.130	1.740
High resolution limit [Å]	1.650	1.650
Rmerge	0.067 *	0.577 *
Total number of observations	124395 *
Number of reflections	35029
<I/σ(I)>	15.6	1.9
Completeness [%]	97.8	87.6
Redundancy	3.6	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.9 *	293	50% (v/v) PEG-200, 0.1M Phosphate-citrate pH 4.2 0.2M NaCl, pH 5.2, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	20 (mM)	pH7.9
2	1	drop		150 (mM)
3	1	drop	TCEP	0.25 (mM)
4	1	drop	protein	10 (mg/ml)
5	1	reservoir	PEG200	50 (%)
6	1	reservoir		0.2 (M)
7	1	reservoir	sodium phosphate-citrate	0.1 (M)	pH4.2