7Y0K

Crystal structure of CpKR in complex with NADPH complex from Candida parapsilosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-14
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.987
Spacegroup name	P 1
Unit cell lengths	40.046, 45.454, 48.921
Unit cell angles	67.44, 84.88, 68.28

Refinement procedure

Resolution	27.840 - 3.030
R-factor	0.2038
Rwork	0.200
R-free	0.26830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xwu
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.107	0.096	0.164
Rmeas	0.126	0.113	0.194
Rpim	0.067	0.059	0.103
Total number of observations	17423
Number of reflections	5310	265	229
<I/σ(I)>	5.5
Completeness [%]	94.1	93.3	86.4
Redundancy	3.3	3.4	2.9
CC(1/2)		0.966	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	25% PEG 3350, 0.1M Tris