2FCL

Crystal structure of a putative nucleotidyltransferase (tm1012) from Thermotoga maritima at 1.35 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979454
Spacegroup name	P 1
Unit cell lengths	32.769, 36.382, 39.785
Unit cell angles	73.69, 85.51, 78.97

Refinement procedure

Resolution	24.280 - 1.200
R-factor	0.142
Rwork	0.140
R-free	0.17000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ewr
RMSD bond length	0.009
RMSD bond angle	1.335
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.880	25.880	1.230
High resolution limit [Å]	1.200	5.370	1.200
Rmerge	0.034	0.031	0.146
Number of reflections	39827	570	709
<I/σ(I)>	20.3	40.2	5.7
Completeness [%]	73.5	94.8	17.6
Redundancy	2.3	4.1	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	5.6	277	15.0% Glycerol, 0.17M NH4OAc, 25.5% PEG-4000, 0.1M Citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K