1NL2

BOVINE PROTHROMBIN FRAGMENT 1 IN COMPLEX WITH CALCIUM AND LYSOPHOSPHOTIDYLSERINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	110
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	38.894, 53.217, 128.959
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.000 * - 2.300
R-factor	0.236
Rwork	0.236
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nl1
RMSD bond length	0.006
RMSD bond angle	23.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.085	0.314
Total number of observations	112656 *
Number of reflections	11566	1127 *
<I/σ(I)>	15.8	2.8
Completeness [%]	92.2	93.4
Redundancy	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.6		pH 7.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	20 (%(w/v))
2	1	reservoir		0.5 (M)
3	1	reservoir		10 (mM)
4	1	reservoir	HEPES	50 (mM)	pH7.6