2B8M

Crystal structure of a rmlc-like cupin family protein with a double-stranded beta-helix fold (mj0764) from methanocaldococcus jannaschii at 1.70 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9796, 0.9797, 1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	49.830, 49.830, 78.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.080 - 1.700
R-factor	0.15197
Rwork	0.149
R-free	0.20400
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.441
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.080	29.080	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.091	0.527	0.527
Number of reflections	12267	2358	2106
<I/σ(I)>	7.84	17.45	2.23
Completeness [%]	99.3		97.2
Redundancy	3.48

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6	277	0.2M (NH4)2SO4, 20.0% PEG-3350, No Buffer, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, pH 6