6NSH

Modified ASL proline bound to Thermus thermophilus 70S (near-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	210.123, 451.799, 622.957
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	188.678 - 3.397
R-factor	0.1996
Rwork	0.198
R-free	0.23690
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]	188.678	188.678	3.490
High resolution limit [Å]	3.397	15.190	3.397
Rmerge	0.267	0.037	1.071
Rmeas	0.305	0.042	1.276
Number of reflections	797669	9133	55277
<I/σ(I)>	5.95	25.05	1.23
Completeness [%]	98.9	94.4	93.2
Redundancy	4.178	4.194	3.216
CC(1/2)	0.988	0.998	0.341

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