1LTU

CRYSTAL STRUCTURE OF CHROMOBACTERIUM VIOLACEUM, APO (NO IRON BOUND) STRUCTURE

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.919866,0.91961,0.942813
Spacegroup name	P 21 21 21
Unit cell lengths	46.684, 68.011, 90.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.730 *
Rwork	0.197
R-free	0.23000
Structure solution method	MAD
RMSD bond length	0.023
RMSD bond angle	23.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	1.760
High resolution limit [Å]	1.730 *	1.730 *
Rmerge	0.056	0.566
Total number of observations	124221 *
Number of reflections	30448
<I/σ(I)>	23.4	2.6
Completeness [%]	99.8	99.7
Redundancy	5-6 *	5-6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	ammonium sulfate, NaCl, HEPES buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	ammonium sulfate, NaCl, HEPES buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.65-1.90 (M)
2	1	reservoir		40-100 (mM)
3	1	reservoir	HEPES	20 (mM)	pH7.5
4	1	drop	protein	20 (mg/ml)