1MDO

Crystal structure of ArnB aminotransferase with pyridomine 5' phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Spacegroup name	P 43 21 2
Unit cell lengths	91.154, 91.154, 128.585
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.570 - 1.700
R-factor	0.217 *
Rwork	0.210
R-free	0.25300
Structure solution method	MAD
RMSD bond length	0.012 *
RMSD bond angle	1.780 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.600 *	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.127 *	1.609 *
Total number of observations	827017 *
Number of reflections	60130
Completeness [%]	99.9 *	99.9
Redundancy	13.7 *	13.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.5	20 *	sodium citrate, PEG 10000, beta-mercaptoethanol, pH 5.5, VAPOR DIFFUSION, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	reservoir	sodium citrate	100 (mM)	pH5.5
3	1	reservoir	PEG10000	18-22 (%)
4	1	reservoir	beta-mercaptoethanol	1 (mM)