3K6Y

Crystal structure of Rv3671c protease from M. tuberculosis, active form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.99986
Spacegroup name	P 31 2 1
Unit cell lengths	64.678, 64.678, 98.655
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.300
R-factor	0.16628
Rwork	0.165
R-free	0.19928
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l1j
RMSD bond length	0.010
RMSD bond angle	1.454
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.350
High resolution limit [Å]	1.300	1.300
Rmerge	0.067	0.620
Number of reflections	59291
<I/σ(I)>		3.2
Completeness [%]	99.5	100
Redundancy	10.1	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.25	293	Reservoir: 0.05 M sodium acetate pH 5.25, 1.96 M sodium formate, VAPOR DIFFUSION, HANGING DROP, temperature 293K