5UQ4

Crystal structure of Heme-Degrading Protein Rv3592 from Mycobacterium tuberculosis - heme free with cleaved protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97924
Spacegroup name	P 61
Unit cell lengths	38.134, 38.134, 238.638
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.025 - 2.201
R-factor	0.1761
Rwork	0.172
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hx9
RMSD bond length	0.002
RMSD bond angle	0.469
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (dev_2650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.099	0.043	1.099
Rmeas	0.104	0.045	1.196
Rpim	0.032	0.014	0.460
Total number of observations	101734
Number of reflections	10093
<I/σ(I)>	9.8
Completeness [%]	99.9	99.1	100
Redundancy	10.1	10.8	5.4
CC(1/2)		0.997	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2M magnesium chloride, 0.1M bi-Tris, 25% PEG3350