1NJS

human GAR Tfase in complex with hydrolyzed form of 10-trifluoroacetyl-5,10-dideaza-acyclic-5,6,7,8-tetrahydrofolic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-01-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.954
Spacegroup name	P 31 2 1
Unit cell lengths	126.235, 126.235, 94.419
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.320 - 1.980
R-factor	0.22794
Rwork	0.227
R-free	0.24700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB code 1MEJ
RMSD bond length	0.014
RMSD bond angle	1.370 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000 *	2.010
High resolution limit [Å]	1.980	1.980
Rmerge	0.074 *	0.601 *
Number of reflections	57912
<I/σ(I)>	25	2.02
Completeness [%]	99.7 *	100
Redundancy	3.9 *	3.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		4 *	PEG4K, 0.2 Ammonium Sulfate, 50mM HEPES 6.7-7.0, VAPOR DIFFUSION, SITTING DROP, temperature 282K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000
2	1	reservoir	ammonium sulfate	0.2 (M)
3	1	reservoir	HEPES	50 (mM)	pH6.7-7.0
4	1	drop	protein	16 (mg/ml)