3E6P

Crystal structure of human meizothrombin desF1

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	2008-06-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.90000
Spacegroup name	P 41 21 2
Unit cell lengths	121.336, 121.336, 100.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.580 - 2.100
R-factor	0.21304
Rwork	0.211
R-free	0.24946
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 1A0H 1shh
RMSD bond length	0.017
RMSD bond angle	1.741
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.4.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.112	0.438
Number of reflections	40469
<I/σ(I)>	17.7	2
Completeness [%]	92.4	79
Redundancy	11.8	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	295	0.2M Na2(SO4), 23% PEG 3350, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K