3K65

Crystal Structure of Prethombin-2/Fragment-2 Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97
Spacegroup name	P 41 21 2
Unit cell lengths	73.530, 73.530, 205.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.200 - 1.850
R-factor	0.219
Rwork	0.213
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hag 2hpq
RMSD bond length	0.005
RMSD bond angle	1.456
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.200	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.091	0.374
Number of reflections	48634
<I/σ(I)>	16.5	3.7
Completeness [%]	99.0	99.5
Redundancy	7.6	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	10% Buffer 1 mix, 10% Alcohols mix, 40% EDO-P8K mix, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K