6BC7

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	2016-07-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	78.550, 78.550, 83.604
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.615 - 1.800
R-factor	0.1508
Rwork	0.149
R-free	0.18570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bc6
RMSD bond length	0.009
RMSD bond angle	0.987
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.850
High resolution limit [Å]	1.800	4.120	1.800
Rmerge	0.089	0.033	0.532
Total number of observations	76779
Number of reflections	26880	2298	2190
<I/σ(I)>	9.1
Completeness [%]	98.7	99	96.3
Redundancy	2.9	2.9	2.8

Crystallization Conditions

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