5UBM

Crystal structure of human C1s in complex with inhibitor gigastasin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 31 2 1
Unit cell lengths	89.350, 89.350, 146.871
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.372 - 2.500
R-factor	0.179
Rwork	0.177
R-free	0.22230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1elv
RMSD bond length	0.004
RMSD bond angle	0.872
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.300	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.150
Number of reflections	24136
<I/σ(I)>	10.8	2.1
Completeness [%]	100.0	100
Redundancy	8.7	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	0.1 M Bis-Tris, pH 5.5, 25 % PEG 3350