4U9P

Structure of the methanofuran/methanopterin biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03930
Spacegroup name	C 2 2 21
Unit cell lengths	64.760, 152.600, 153.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.300 - 1.700
R-factor	0.2027
Rwork	0.202
R-free	0.22290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.090
Data scaling software	SCALEPACK
Phasing software	AutoSol
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.300	76.300	1.740
High resolution limit [Å]	1.700	7.580	1.700
Rmerge	0.076	0.058	0.552
Rmeas	0.091	0.068	0.660
Total number of observations	533070
Number of reflections	83236	1827	10820
<I/σ(I)>	9.48	19.53	2.03
Completeness [%]	98.2	99.6	89.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	295	0.25 M sodium citrate pH 4.0 and 26% 2-methyl-2,4-pentanediol