1MIW

Crystal structure of Bacillus stearothermophilus CCA-adding enzyme in complex with ATP

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-15
Detector	MARRESEARCH
Wavelength(s)	1.1063, 0.9786, 0.9789, 0.9560
Spacegroup name	P 31 2 1
Unit cell lengths	105.632, 105.632, 184.159
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.000 * - 3.000
R-factor	0.2314
Rwork	0.228
R-free	0.26300 *
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	1.755
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC (5.1.17)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000 *
High resolution limit [Å]	3.000
Rmerge	0.035
Total number of observations	241651 *
Number of reflections	24280
<I/σ(I)>	42
Completeness [%]	99.8	99.9 *
Redundancy	9.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	7.5	277	NaCl, Tris, MgCl2, pH 7.5, MICRODIALYSIS at 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	8 (mg/ml)
2	1	2	Tris	50 (mM)	pH7.5
3	1	2		200 (mM)
4	1	2		10 (mM)