6BC3

Cryo X-ray structure of sisomicin bound AAC-VIa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-05-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	77.534, 77.534, 83.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.767 - 2.047
R-factor	0.1902
Rwork	0.189
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bc6
RMSD bond length	0.002
RMSD bond angle	0.630
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.120
High resolution limit [Å]	2.047	4.420	2.050
Rmerge	0.100	0.055	0.602
Number of reflections	18004	1842	1767
<I/σ(I)>	10.5
Completeness [%]	99.3	99.2	98.2
Redundancy	2.9	3	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	285	0.1 M sodium citrate, pH 5.6, 0.2 M ammonium acetate, 10% glycerol, 17-25% PEG4000