1KHD

Crystal Structure Analysis of the anthranilate phosphoribosyltransferase from Erwinia carotovora at 1.9 resolution (current name, Pectobacterium carotovorum)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	200
Detector technology	AREA DETECTOR
Collection date	2001-06-27
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	76.870, 82.342, 200.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 1.860
Rwork	0.223
R-free	0.26330 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kgz
RMSD bond length	0.006 *
RMSD bond angle	1.200 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *
High resolution limit [Å]	1.860
Rmerge	0.063	0.372 *
Total number of observations	107405 *
Number of reflections	99609
<I/σ(I)>	38.6
Completeness [%]	92.0 *
Redundancy	25. *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG 3000, MnCl2, glutamine, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	10 (mM)	pH6.5
10	1	reservoir	PRPP	1.25 (mM)
11	1	reservoir	anthranilate	0.0012 (mM)
12	1	reservoir	dithiothreitol	1 (mM)
13	1	reservoir	EDTA	1 (mM)
2	1	drop	glycerol	10 (%)
3	1	drop	dithiothreitol	1 (mM)
4	1	drop	EDTA	1 (mM)
5	1	drop	protein	20 (mg/ml)
6	1	reservoir	PEG3000	25 (%)
7	1	reservoir	HEPES	0.2 (M)	pH6.5
8	1	reservoir	glutamine	4.5 (mM)
9	1	reservoir		10.0 (mM)