2HK6

Crystal Structure of B. subtilis ferrochelatase with Iron bound at the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-08
Detector	MAR CCD 165 mm
Wavelength(s)	1.0605
Spacegroup name	P 21 21 21
Unit cell lengths	48.650, 49.980, 118.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.640 - 1.710
R-factor	0.17824
Rwork	0.176
R-free	0.21951
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1doz
RMSD bond length	0.012
RMSD bond angle	1.347
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.810
High resolution limit [Å]	1.700	1.700
Rmerge	0.027
Number of reflections	31884
Completeness [%]	100.0	95.6
Redundancy	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	288	25% PEG 2000, 0.2 M MgCl2, 0.1 M Tris-HCl , pH 8.0, VAPOR DIFFUSION, temperature 288K