1ZR0

Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	77
Detector technology	CCD
Collection date	2004-04-19
Detector	ADSC QUANTUM 4
Wavelength(s)	1.10
Spacegroup name	P 21 21 21
Unit cell lengths	74.107, 77.013, 125.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.802
Rwork	0.231
R-free	0.29550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1taw
RMSD bond length	0.025
RMSD bond angle	2.069
Phasing software	EPMR
Refinement software	REFMAC (5.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.000	1.847
High resolution limit [Å]	1.802	1.802
Rmerge	0.073	0.365
Number of reflections	60093
<I/σ(I)>	23.8	6.9
Completeness [%]	94.8	100
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	310	Hepes, ammonium sulfate, calcium chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 310K