1C8O

2.9 A STRUCTURE OF CLEAVED VIRAL SERPIN CRMA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-02-07
Detector	ADSC
Spacegroup name	P 21 21 21
Unit cell lengths	42.670, 93.150, 101.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.790 - 2.900
R-factor	0.224 *
Rwork	0.223
R-free	0.28700
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.110	0.420
Total number of observations	318152 *
Number of reflections	9406 *
<I/σ(I)>	15.5
Completeness [%]	99.9	91.1
Redundancy	5.8	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	20 *	sodium/potassium phosphate 1.6M, pH 5.4, vapor diffusion/hanging drop, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	sodium potassium phosphate	1.6 (M)
3	1	reservoir	HEPES	0.1 (M)