1MDX

Crystal structure of ArnB transferase with pyridoxal 5' phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Spacegroup name	P 43 21 2
Unit cell lengths	91.152, 91.152, 128.683
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.580 - 1.960
R-factor	0.207 *
Rwork	0.198
R-free	0.24100
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.011 *
RMSD bond angle	1.760 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.600 *	2.070
High resolution limit [Å]	1.960	1.960
Rmerge	0.153 *	0.805 *
Total number of observations	537578 *
Number of reflections	39164
Completeness [%]	99.2	94.9 *
Redundancy	13.7 *	9.3 *

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)