1J34

Crystal Structure of Mg(II)-and Ca(II)-bound Gla Domain of Factor IX Complexed with Binding Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-30
Detector	MARRESEARCH
Wavelength(s)	0.72
Spacegroup name	C 1 2 1
Unit cell lengths	128.552, 37.204, 62.626
Unit cell angles	90.00, 103.56, 90.00

Refinement procedure

Resolution	20.000 * - 1.550
R-factor	0.185
Rwork	0.183
R-free	0.20900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iod
RMSD bond length	0.005
RMSD bond angle	22.600 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.650
High resolution limit [Å]	1.550	1.550
Rmerge	0.037	0.209
Number of reflections	39489
<I/σ(I)>	10.7
Completeness [%]	93.6	63.3
Redundancy	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	8	20 *	PEG 6000, Tris-HCl, calcium chloride, magnesium chloride, pH 8, MICROBATCH, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	5 (mg/ml)
2	1	2	Tris-HCl	30 (mM)	pH8.0
3	1	2	PEG6000	14 (%)
4	1	2		5 (mM)
5	1	2		2 (mM)