2NCD

NCD (NON-CLARET DISJUNCTIONAL) DIMER FROM D. MELANOGASTER

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1997-10-15
Spacegroup name	P 61 2 2
Unit cell lengths	123.000, 123.000, 121.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.226
Rwork	0.226
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NCD MONOMER
RMSD bond length	0.007
RMSD bond angle	12.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.500
High resolution limit [Å]	2.500	2.300
Rmerge	0.068	0.130
Total number of observations	190358 *
Number of reflections	18795
<I/σ(I)>	15	5
Completeness [%]	98.6	92.6
Redundancy	10.1	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	THE MOTHER LIQUOR CONTAINED PROTEIN AT ABOUT 20 MG/ML, 2 MM ADP, 10 MM MGCL2, 100 MM NACL, 700 MM LI2SO4, 1 MM EGTA, AND 1 MM DTT IN 20 MM HEPES, PH 7.5. THE RESERVOIR WAS 1.4 M LI2SO4, 10 MM MGCL2, 1 MM EGTA, 1 MM DTT IN 20 MM HEPES, PH 7.5., VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
10	1	reservoir		10 (mM)
11	1	reservoir	EGTA	1 (mM)
12	1	reservoir	dithiothreitol	1 (mM)
13	1	reservoir	HEPES	20 (mM)
2	1	drop	ADP	2 (mM)
3	1	drop		10 (mM)
4	1	drop		100 (mM)
5	1	drop		700 (mM)
6	1	drop	EGTA	1 (mM)
7	1	drop	dithiothreitol	1 (mM)
8	1	drop	HEPES	20 (mM)
9	1	reservoir		1.4 (M)