1LSV

Crystal structure of the CO-bound BjFixL heme domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9790
Spacegroup name	H 3 2
Unit cell lengths	127.010, 127.010, 58.140
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.400
Rwork	0.215
R-free	0.25100
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1drm
RMSD bond length	0.014
RMSD bond angle	1.680
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.044	0.315
Total number of observations	45212 *
Number of reflections	7132 *
<I/σ(I)>	14.4	6.8
Completeness [%]	99.8	96.6
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	4 *	Gong, W., (1998) Proc. Natl. Acad. Sci. U.S.A., 95, 15177. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		4.5 (M)
2	1	reservoir	MPD	5 (%)
3	1	reservoir	HEPES	0.1 (M)