1B4S

STRUCTURE OF NUCLEOSIDE DIPHOSPHATE KINASE H122G MUTANT

Experimental procedure

Source type	SYNCHROTRON
Source details	LURE BEAMLINE D41A
Synchrotron site	LURE
Beamline	D41A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-07
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	70.000, 70.000, 151.770
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.500
R-factor	0.203
Rwork	0.203
R-free	0.30500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kdn
RMSD bond length	0.012
RMSD bond angle	2.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000
High resolution limit [Å]	2.500	2.500 *
Rmerge	0.083	0.300 *
Total number of observations	150824 *
Number of reflections	15492 *
Completeness [%]	99.9
Redundancy	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	18 *	pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG400	21 (%)
2	1	drop		20 (mM)
3	1	drop	Tris-HCl	100 (mM)
4	1	drop	ATP	10 (mM)
5	1	reservoir	PEG400	42 (%)