8H0R

Crystal structure of a cataract-causing crystallin mutant (mouse CRYBB1 Y202X)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2020-07-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	39.919, 48.437, 113.321
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.103 - 1.201
R-factor	0.1855
Rwork	0.185
R-free	0.19430
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.890
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.240
High resolution limit [Å]	1.200	2.590	1.200
Rmerge	0.058	0.050	0.482
Rmeas	0.061	0.052	0.543
Rpim	0.018	0.016	0.240
Total number of observations	712380
Number of reflections	68183	7241	5807
<I/σ(I)>	17.5
Completeness [%]	98.1	98.5	84.5
Redundancy	10.4	10.5	4.6
CC(1/2)		0.998	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6	289	PEG 3350