1KUT

Structural Genomics, Protein TM1243, (SAICAR synthetase)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-09-10
Detector	SBC-2
Wavelength(s)	0.9793,0.9791,0.95200
Spacegroup name	P 1 21 1
Unit cell lengths	63.509, 43.067, 80.217
Unit cell angles	90.00, 92.30, 90.00

Refinement procedure

Resolution	10.000 - 2.200
Rwork	0.245
R-free	0.28100
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.250
High resolution limit [Å]	2.140	2.140
Rmerge	0.093	0.310
Number of reflections	23637
<I/σ(I)>	20.6	4.74
Completeness [%]	99.8	100
Redundancy	6.28	3.56

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	294 *	PEG4000, MgCl2, Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	30 (%)
2	1	reservoir		0.15 (M)
3	1	reservoir	Tris	0.1 (M)	pH8.5