1KR4

Structure Genomics, Protein TM1056, cutA

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	2001-11-20
Detector	SBC-2
Wavelength(s)	0.9793,0.9791,0.95200
Spacegroup name	P 3
Unit cell lengths	52.237, 52.237, 33.846
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 * - 1.400
R-factor	0.218
Rwork	0.218
R-free	0.24080 *
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	21.800 *
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	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.056	0.416
Number of reflections	19451
<I/σ(I)>	24.25	1.66
Completeness [%]	95.1	87.7
Redundancy	5.49	4.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5 *	20 *	Zhang, R.G., (2001) Structure, 9, 1095. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4.5 (mg/ml)
2	1	reservoir	Tris-HCl	0.1 (M)
3	1	reservoir	ammonium sulfate	1.75 (M)