1P8L

New Crystal Structure of Chlorella Virus DNA Ligase-Adenylate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-01-25
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	91.059, 60.574, 70.268
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.950
R-factor	0.26641
Rwork	0.263
R-free	0.30350 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fvi
RMSD bond length	0.013
RMSD bond angle	1.575
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.06)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000
High resolution limit [Å]	2.950
Rmerge	0.092	0.640 *
Number of reflections	8265
Completeness [%]	96.9	95.3 *
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	4 *	4-6% PEG 4000, 50 mM HEPES, 50 mM sodium acetate, pH 7.5, hanging drops, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)	pH8.0
3	1	drop	dithiothreitol	5 (mM)
4	1	drop		0.1 (M)
5	1	reservoir	PEG4000	4-6 (%)
6	1	reservoir	HEPES	50 (mM)	pH7.5
7	1	reservoir	sodium acetate	50 (mM)