6ZVZ

Connectase MJ0548 from Methanocaldococcus jannaschii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	76.162, 190.221, 111.863
Unit cell angles	90.00, 107.43, 90.00

Refinement procedure

Resolution	37.197 - 2.300
R-factor	0.2435
Rwork	0.242
R-free	0.27700
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.552
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHARP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.197	37.197	2.440
High resolution limit [Å]	2.300	6.790	2.300
Rmerge	0.077	0.043	0.747
Rmeas	0.087	0.050	0.851
Number of reflections	65793	2591	10416
<I/σ(I)>	11.57	28.46	1.69
Completeness [%]	97.7	97.4	95.8
Redundancy	4.307	4.049	4.305
CC(1/2)	0.997	0.996	0.706

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	70% MPD, 100mM Tris pH 8.5