6FK0

Xray structure of domain-swapped cystatin E dimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-07
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8726
Spacegroup name	P 2 2 21
Unit cell lengths	31.620, 64.070, 147.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.780 - 2.900
R-factor	0.2683
Rwork	0.268
R-free	0.27330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n6l
RMSD bond length	0.010
RMSD bond angle	1.339
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.780	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.110	1.500
Rmeas	0.120	1.680
Rpim	0.040	0.620
Number of reflections	7187	994
<I/σ(I)>	9.1	1.3
Completeness [%]	100.0	100
Redundancy	7.6	7.2
CC(1/2)	0.990	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG 8000, 0.1 M Ches pH 9.5