1SG9

Crystal structure of Thermotoga maritima protein HEMK, an N5-glutamine methyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-16
Detector	BRANDEIS - B4
Wavelength(s)	0.95
Spacegroup name	I 2 2 2
Unit cell lengths	81.025, 188.332, 207.684
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.090 - 2.300
R-factor	0.235
Rwork	0.235
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	MARMAD
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.090	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.071	0.622
Number of reflections	63152
<I/σ(I)>	14
Completeness [%]	89.1	90.7
Redundancy	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	PEG 8000, Sodium acetate, Sodium Citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K