1EAW

Crystal structure of the MTSP1 (matriptase)-BPTI (aprotinin) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-08-15
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	47.099, 54.233, 67.824
Unit cell angles	107.62, 96.86, 103.36

Refinement procedure

Resolution	12.000 * - 2.930
R-factor	0.199
Rwork	0.199
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4htc
RMSD bond length	0.007
RMSD bond angle	24.900 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.000	3.110
High resolution limit [Å]	2.930	2.930
Rmerge	0.120	0.343 *
Number of reflections	12200
<I/σ(I)>	5.4
Completeness [%]	94.4	93.1
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5 *	18 *	pH 8.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	0.1 (M)	pH6.5
2	1	reservoir	PEG4000	20 (%)
3	1	reservoir		2 (%)