4H8P

NEAT5 domain of IsdX2, a B. anthracis hemophore in complex with heme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	77
Detector technology	CCD
Collection date	2012-05-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	I 2 3
Unit cell lengths	109.020, 109.020, 109.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.475 - 2.050
R-factor	0.1982
Rwork	0.196
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sik
RMSD bond length	0.007
RMSD bond angle	1.244
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall
Low resolution limit [Å]	54.510
High resolution limit [Å]	2.050
Rmerge	0.148
Number of reflections	13751
Completeness [%]	99.7
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	294	10% PEG 3000, 0.2 M Zn acetate and 0.1 M sodium acetate pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K