1KZQ

crystal structure of a parasite protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9197
Spacegroup name	P 41 21 2
Unit cell lengths	101.840, 101.840, 125.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.700
R-factor	0.201
Rwork	0.200
R-free	0.22600
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.500
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.062	0.424
Number of reflections	138104 *
<I/σ(I)>	7.5	1.9
Completeness [%]	99.6	99.4
Redundancy	10.6	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	Ammonium Sulfide, sodium acetate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	5	293	Ammonium Sulfide, sodium acetate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	35 (mg/ml)
2	1	reservoir	ammonium sulfate	2.8 (M)
3	1	reservoir	sodium acetate	0.1 (M)	pH5.0