4H8Q

Structure of the Q29T IsdX2-NEAT5 mutant in complex with heme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	77
Detector technology	CCD
Collection date	2012-06-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1
Spacegroup name	I 2 3
Unit cell lengths	109.090, 109.090, 109.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.569 - 1.700
R-factor	0.1909
Rwork	0.190
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h8p
RMSD bond length	0.006
RMSD bond angle	1.056
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall
Low resolution limit [Å]	38.570
High resolution limit [Å]	1.490
Rmerge	0.073
Number of reflections	35031
Completeness [%]	100.0
Redundancy	44.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.25	293	5% PEG 3000, 0.2 M Zn acetate and 0.1 M sodium acetate pH 5.25, VAPOR DIFFUSION, HANGING DROP, temperature 293K