1NIJ

YJIA PROTEIN

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-16
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0093, 0.9794, 0.9796, 0.9649
Spacegroup name	C 1 2 1
Unit cell lengths	83.830, 66.520, 56.150
Unit cell angles	90.00, 114.96, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.223
Rwork	0.223
R-free	0.23200 *
Structure solution method	MAD
RMSD bond length	0.019 *
RMSD bond angle	2.100 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.000	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.034 *	0.337
Number of reflections	21164 *
<I/σ(I)>	16.1	2.2
Completeness [%]	98.5 *	92.8
Redundancy	2.3 *	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	1M Lithium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	0.1 (M)	pH7.5
2	1	reservoir	lithium sulfate	1 (M)