6JHB

Crystal structure of NADPH and 4-hydroxyphenylpyruvic acid bound AerF from Microcystis aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-09-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.91939
Spacegroup name	P 43 2 2
Unit cell lengths	101.124, 101.124, 115.096
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.000 - 2.270
R-factor	0.24031
Rwork	0.239
R-free	0.27044
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jh7
RMSD bond length	0.010
RMSD bond angle	1.566
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.360
High resolution limit [Å]	2.270	2.320
Rmerge	0.128	0.554
Number of reflections	27238	1372
<I/σ(I)>	17.957	5.474
Completeness [%]	96.2
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		285	0.2 M NaCl, 0.1 M Na HEPES pH7.5, 25 % (w/v) PEG4000