2OAY

Crystal structure of latent human C1-inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-03
Detector	MAR CCD 165 mm
Wavelength(s)	0.8162
Spacegroup name	P 65
Unit cell lengths	98.903, 98.903, 94.684
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	84.520 - 2.350
R-factor	0.17595
Rwork	0.174
R-free	0.21794
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ensemble of truncated serpin structures. PDB codes: 4CAA 1qmb 1e05 1dvm 1c8o 1jti 1jjo 1mtp 1hle 1jrr
RMSD bond length	0.020
RMSD bond angle	1.764
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.520	2.400
High resolution limit [Å]	2.350	2.350
Rmerge	0.097	0.652
Number of reflections	21930
<I/σ(I)>	20.29	3.89
Completeness [%]	99.8	100
Redundancy	14.6	9.54

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.85 M NaH2PO4, 0.85 M KH2PO4, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K