5ZZD

Crystal structure of a protein from Aspergillus flavus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-03-16
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	160.438, 62.202, 113.166
Unit cell angles	90.00, 113.31, 90.00

Refinement procedure

Resolution	24.580 - 1.850
R-factor	0.18946
Rwork	0.187
R-free	0.23102
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.339
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	10.000	2.000
High resolution limit [Å]	1.850	4.300	1.850
Rmerge	0.055	0.017	0.491
Rmeas	0.065	0.020	0.591
Rpim	0.035	0.011	0.323
Total number of observations	224575
Number of reflections	85513	6808	6675
<I/σ(I)>	14.3
Completeness [%]	97.6	95.4	96.6
Redundancy	3.3	3.3	3.2
CC(1/2)		0.999	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	0.1M Sodium citrate pH 5.6 0.1M -0.6M Nacl , 20% PEG4000