6YC8

Crystal structure of KRED1-Pglu enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 65 2 2
Unit cell lengths	111.064, 111.064, 144.592
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.840 - 1.770
R-factor	0.1842
Rwork	0.183
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kzv
RMSD bond length	0.016
RMSD bond angle	1.315
Data reduction software	DIALS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.790	1.870
High resolution limit [Å]	1.770	1.770
Number of reflections	51848	7413
<I/σ(I)>	14.1
Completeness [%]	100.0
Redundancy	38.1
CC(1/2)	0.999	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	45% v/vPEG 600, 0.1 M HEPES pH 7.5