6H1W

Crystal Structure of protein MJ1004 from Mathanocaldococcus jannaschii

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	80.899, 80.899, 178.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.240 - 2.394
R-factor	0.229
Rwork	0.227
R-free	0.24990
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.441
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.475	89.475	2.438
High resolution limit [Å]	2.394	6.695	2.394
Rmerge	0.096	0.069	1.438
Rmeas	0.098	0.071	1.475
Rpim	0.019	0.015	0.319
Number of reflections	24118	1184	1200
<I/σ(I)>	25.8
Completeness [%]	99.5	94.6	95.5
Redundancy	27.1	21.8	20
CC(1/2)	0.997	0.997	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	100mM HEPES pH=7.5 25% Ethanol