3UID

Crystal Structure of Protein Ms6760 from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	48.320, 60.210, 100.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.627 - 1.571
R-factor	0.1939
Rwork	0.192
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xuv
RMSD bond length	0.006
RMSD bond angle	1.043
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.630		1.610
High resolution limit [Å]	1.570	7.030	1.570
Rmerge	0.048	0.019	0.517
Number of reflections	39602	483	2082
<I/σ(I)>	16.43	42.2	2.03
Completeness [%]	94.9	89.3	68.7
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	0.1 M Na Acetate pH 4.5, 20% PEG 3000, vapor diffusion, hanging drop, temperature 291K