7W81

Crystal structure of the heme-bound form of the linker-NEAT3 region of IsdH from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-17
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	49.910, 95.310, 99.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.430 - 1.800
R-factor	0.187
Rwork	0.185
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vtm
RMSD bond length	0.016
RMSD bond angle	2.015
Data reduction software	MOSFLM (7.0.9)
Data scaling software	SCALA (3.3.21)
Phasing software	MOLREP (11.2.5)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.430	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.082	0.454
Rpim	0.036	0.217
Number of reflections	43510	6048
<I/σ(I)>	12.3	2.8
Completeness [%]	97.6	94.8
Redundancy	5.7
CC(1/2)	0.996	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200mM potassium chloride, 20% PEG 3350