6AGY

Aspergillus fumigatus Af293 NDK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	180
Detector technology	CCD
Collection date	2018-06-21
Detector	RAYONIX SX-165mm
Wavelength(s)	1.5420
Spacegroup name	P 3 1 2
Unit cell lengths	70.756, 70.756, 53.095
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.547 - 1.800
R-factor	0.1407
Rwork	0.137
R-free	0.17020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fkx
RMSD bond length	0.005
RMSD bond angle	0.799
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.074	0.440
Rmeas	0.078	0.462
Rpim	0.024	0.142
Number of reflections	14227	1406
<I/σ(I)>	26.57	5.08
Completeness [%]	97.7	94.1
Redundancy	10.8	10.5
CC(1/2)	0.999	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	289	0.1M HEPES pH 6.8, 1.2M sodium citrate