6QW3

Calcium-bound gelsolin domain 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 2 21 21
Unit cell lengths	26.653, 50.275, 70.819
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.995 - 1.300
R-factor	0.1556
Rwork	0.154
R-free	0.17390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kcq
RMSD bond length	0.016
RMSD bond angle	1.469
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.820	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.077	0.764
Rmeas	0.080	0.874
Rpim	0.023	0.409
Number of reflections	24096	1103
<I/σ(I)>	14	1.8
Completeness [%]	99.5	92.9
Redundancy	10.8	4.3
CC(1/2)	0.999	0.579

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	36% PEG5000 MME, 0.1M Sodium Acetate