1C3H

ACRP30 CALCIUM COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-01-01
Detector	RIGAKU RAXIS
Spacegroup name	P 1
Unit cell lengths	58.639, 58.711, 87.315
Unit cell angles	70.55, 70.62, 60.14

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.198
Rwork	0.198
R-free	0.24800
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.058	0.115
Number of reflections	51096
<I/σ(I)>	24.87
Completeness [%]	93.9	89.4
Redundancy	3	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	0.1M BIS-TRIS, 20MM CACL2, 2% PEG 4K, -- CRYO: 15% ETHYLENE GLYCOL, 19% SUCROSE, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 4CK, temperature 277K