5MEI

Crystal structure of Agelastatin A bound to the 80S ribosome

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.148
Spacegroup name	P 1 21 1
Unit cell lengths	304.080, 286.550, 436.550
Unit cell angles	90.00, 99.05, 90.00

Refinement procedure

Resolution	98.383 - 3.500
R-factor	0.1962
Rwork	0.195
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4v88
RMSD bond length	0.007
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	98.383	100.000	3.600
High resolution limit [Å]	3.500	98.383	3.500
Rmerge	0.567		2.259
Rmeas	0.597		2.425
Total number of observations	9768849
Number of reflections	925728		74772
<I/σ(I)>	5.56		1
Completeness [%]	100.0		99.9
Redundancy	10.553		7.424
CC(1/2)	0.985		0.322

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	PEG 20K, KSCN, Mg Acetate, Tris-Acetate, Glycerol, Spermidine
1	VAPOR DIFFUSION, HANGING DROP	7	277	PEG 20K, KSCN, Mg Acetate, Tris-Acetate, Glycerol, Spermidine