1GRR

CHLORAMPHENICOL PHOSPHOTRANSFERASE IN COMPLEX WITH 2-Nac-CHLORAMPHENICOL 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	42.000 * - 3.100 *
R-factor	0.226 *
Rwork	0.278
R-free	0.25600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qhn
RMSD bond length	0.006 *
RMSD bond angle	1.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.167	0.323
Total number of observations	229617 *
Number of reflections	12472 *
<I/σ(I)>	13.9
Completeness [%]	98.0	0.9
Redundancy	18.41

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	50 (mM)	pH7.5
2	1	drop	ammonium sulfate	0.4 (M)
3	1	drop	protein	7.5 (mg/ml)
4	1	reservoir	Tris-HCl	0.1 (M)	pH7.
5	1	reservoir	ammonium sulfate	1.6 (M)
6	1	reservoir	acetonitrile	4 (%)
7	1	reservoir	ligand	2 (mM)