6CZ5

Crystal structure of small molecule AMP-acrylamide covalently bound to DDX3 S228C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	53.960, 101.090, 105.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.054 - 3.000
R-factor	0.2242
Rwork	0.222
R-free	0.26670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e7j
RMSD bond length	0.002
RMSD bond angle	0.523
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.054	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.121	1.089
Rmeas	0.135
Rpim	0.057	0.500
Number of reflections	12100
<I/σ(I)>	8.5	1.6
Completeness [%]	100.0	100
Redundancy	5.4	5.6
CC(1/2)	0.996	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	291	100 mM sodium citrate, 8% PEG3000