1KMM

HISTIDYL-TRNA SYNTHETASE COMPLEXED WITH HISTIDYL-ADENYLATE

Experimental procedure

Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	275
Detector technology	IMAGE PLATE
Collection date	1994-02-09
Detector	MAR scanner 180 mm plate
Spacegroup name	P 1
Unit cell lengths	61.400, 110.700, 108.700
Unit cell angles	115.00, 97.40, 90.00

Refinement procedure

Resolution	12.000 - 2.600
R-factor	0.221
Rwork	0.221
R-free	0.29700
RMSD bond length	0.012
RMSD bond angle	24.500 *
Data reduction software	MARXDS
Data scaling software	MARSCALE
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.096	0.190
Total number of observations	183629 *
Number of reflections	66471
<I/σ(I)>	24	4
Completeness [%]	85.4	47.5
Redundancy	2.7	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4	20 *	drop solution was mixed with an equal volume of reservoir solution *
1	Vapor diffusion, hanging drop *	7.4	20 *	drop solution was mixed with an equal volume of reservoir solution *
1	Vapor diffusion, hanging drop *	7.4	20 *	drop solution was mixed with an equal volume of reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	enzyme	0.07-0.1 (M)
3	1	drop	histidine	50 (mM)
4	1	drop	ATP	3 (mM)
5	1	reservoir	citrate	0.1 (M)
6	1	reservoir	ammonium acetate	0.2 (M)
7	1	reservoir	PEG4000	30 (%(w/v))