4Q6U

Crystal structure of a putative uncharacterized protein from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-06
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 21 21 2
Unit cell lengths	131.620, 73.020, 82.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.047 - 1.950
R-factor	0.1833
Rwork	0.181
R-free	0.21840
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.065	0.487
Number of reflections	57563
<I/σ(I)>	16.65	3.36
Completeness [%]	98.1	100
Redundancy	6.3	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	PACT screen, F2: 200mM NaBr, 100mM BisTris propane, 20% PEG 3350; MytuD.18669.a.B1 at 20.2mg/ml, cryo 15% EG; tray 252936 f2, puck iqo4-7, VAPOR DIFFUSION, SITTING DROP, temperature 290K, pH 6.5
2