4NL5

Mycobacterium tuberculosis heme-degrading protein MhuD in complex with heme and cyanide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	40.970, 60.400, 78.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.230 - 1.900
R-factor	0.1782
Rwork	0.173
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.098
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX (AutoMR)
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.230	1.940
High resolution limit [Å]	1.900	1.900
Number of reflections	15989
Completeness [%]	100.0	100
Redundancy		6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	1.9 M Ammonium Sulfate, 0.1 M Sodium Acetate, pH 6.0, 0.2 M Sodium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K