1O5H

Crystal structure of formiminotetrahydrofolate cyclodeaminase (TM1560) from Thermotoga maritima at 2.80 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-21
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	56.704, 71.875, 119.245
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.000 - 2.800
R-factor	0.20289
Rwork	0.199
R-free	0.27800 *
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.460 *
Data reduction software	MOSFLM
Data scaling software	SCALA (5.0))
Phasing software	SOLVE
Refinement software	REFMAC (5.1.9999)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.000	2.670
High resolution limit [Å]	2.800 *	2.800 *
Rmerge	0.067 *	0.470 *
Total number of observations	81783 *
Number of reflections	12284 *
<I/σ(I)>	13.3	1.4
Completeness [%]	97.1 *	76.5 *
Redundancy	6.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.9 *	277	5% PEG-6000, 0.1M citric acid pH 5.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris	20 (mM)	pH7.9
2	1	reservoir		150 (mM)
3	1	reservoir	TCEP	0.25 (mM)
4	1	drop	protein	12 (mg/ml)