8YP9

the crystal structure of wildtype Magnaporthe grisea oxidoreductase in complex with NADP

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	2019-04-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	64.617, 111.449, 171.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.150 - 2.300
R-factor	0.1846
Rwork	0.183
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.051
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.282	0.087	1.410
Rmeas	0.294	0.091	1.477
Rpim	0.082	0.025	0.430
Total number of observations	697240
Number of reflections	55459	5814	5272
<I/σ(I)>	3.1
Completeness [%]	99.3	98.4	95.8
Redundancy	12.6	12.7	10.6
CC(1/2)	0.988	0.998	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		291	0.2M NaCl, 2% ethyl acetate, 1.2M NaH2PO4, and 1.2M K2HPO4