7EJH

Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F and 2-hydroxyisoindoline-1,3-dione complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97855
Spacegroup name	C 1 2 1
Unit cell lengths	131.079, 56.128, 129.036
Unit cell angles	90.00, 103.76, 90.00

Refinement procedure

Resolution	41.734 - 1.729
R-factor	0.19849978251
Rwork	0.196
R-free	0.23511
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rf2
RMSD bond length	0.007
RMSD bond angle	0.979
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.720	1.730
Rmerge	0.074	0.507
Number of reflections	93853	93853
<I/σ(I)>	23
Completeness [%]	98.2
Redundancy	6.5
CC(1/2)	0.914	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M MES pH 6.5, 30% (w/v) PEG 2000 MME, 0.1 M Sodium acetate