1QHX

CHLORAMPHENICOL PHOSPHOTRANSFERASE IN COMPLEX WITH ATP FROM STREPTOMYCES VENEZUELAE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector technology	IMAGE PLATE
Spacegroup name	I 41 3 2
Unit cell lengths	200.000, 200.000, 200.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.000 - 2.500
R-factor	0.213
Rwork	0.228
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qhn
RMSD bond length	0.007
RMSD bond angle	23.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.200
Rmerge	0.058 *	0.177 *
Total number of observations	327116 *
Number of reflections	23682 *
<I/σ(I)>	22.4
Completeness [%]	99.1 *	99.5 *
Redundancy	13.81 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5		pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7.5 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	drop	ammonium sulfate	0.4 (M)
4	1	drop	acetonitrile	4 (%)
5	1	drop	ATP	10 (mM)
6	1	drop	magnesium chloride	10 (mM)
7	1	reservoir	Tris-HCl	0.1 (M)
8	1	reservoir	ammonium sulfate	1.14 (M)