1LSX

Crystal structure of the methylimidazole-bound BjFixL heme domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	100
Detector technology	CCD
Collection date	2000-09-12
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9184
Spacegroup name	H 3 2
Unit cell lengths	127.020, 127.020, 58.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.700
Rwork	0.201
R-free	0.22900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1drm
RMSD bond length	0.013 *
RMSD bond angle	1.550
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	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.047	0.217
Total number of observations	25018 *
Number of reflections	5000 *
<I/σ(I)>	17	6.5
Completeness [%]	98.7	90.7
Redundancy	5

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)