6NTA

Modified ASL proline bound to Thermus thermophilus 70S (cognate)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	209.792, 451.909, 621.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	152.710 - 3.100
R-factor	0.2459
Rwork	0.244
R-free	0.27420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4v5c
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.14_3260)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	152.710	152.710	3.300
High resolution limit [Å]	3.220	14.400	3.220
Rmerge	0.359	0.034	1.281
Rmeas	0.418	0.039	1.535
Total number of observations	3448417
Number of reflections	935512	10390	68799
<I/σ(I)>	4.73	22.64	1.06
Completeness [%]	99.2	92.1	99.2
Redundancy	3.686	3.936	3.071
CC(1/2)	0.968	0.998	0.226

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	293	0.1 M Tris-HOAc, pH 7.6, 0.15 M L-arginine HCl, 2.9% (v/v) PEG 20K, 12% (v/v) MPD, 0.0005M BME