2FTQ

E. coli thymidylate synthase at 1.8 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08-24
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9
Spacegroup name	I 21 3
Unit cell lengths	131.234, 131.234, 131.234
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.900 - 1.810
R-factor	0.20316
Rwork	0.202
R-free	0.22556
Structure solution method	isomorphous
RMSD bond length	0.020
RMSD bond angle	1.653
Data scaling software	d*TREK
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.870	1.870
High resolution limit [Å]	1.810	1.810
Rmerge	0.090	0.370
Number of reflections	34259
<I/σ(I)>	16	2.4
Completeness [%]	99.0	99
Redundancy	10	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	2.5 M ammonium sulfate, 20 mM KH2PO4, 4 mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K