5CSM

YEAST CHORISMATE MUTASE, T226S MUTANT, COMPLEX WITH TRP

Experimental procedure

Source type	ROTATING ANODE
Source details	ELLIOTT GX-13
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1996-06-27
Detector	SIEMENS-NICOLET X100
Spacegroup name	C 1 2 1
Unit cell lengths	94.600, 51.400, 66.800
Unit cell angles	90.00, 116.60, 90.00

Refinement procedure

Resolution	7.000 - 2.000
R-factor	0.186
Rwork	0.186
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1csm
RMSD bond length	0.012
RMSD bond angle	19.700 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.055	0.196
Total number of observations	40918 *
Number of reflections	18951
Completeness [%]	96.6	88.8
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5		HANGING DROP, 19 % PEG 3350, 3 MM DTT, 0.16 M SODIUM ACETATE PH 5.0, 16 MM TRYPTOPHAN, 10 MG/ML PROTEIN, vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG3350	19 (%)
3	1	reservoir	dithiothreitol	3 (mM)
4	1	reservoir	sodium acetate	0.16 (M)
5	1	reservoir	tryptophan	16 (mM)