1AMZ

CHICKEN CITRATE SYNTHASE COMPLEX WITH NITROMETHYLDE-COA AND MALATE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1997-03-12
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	C 1 2 1
Unit cell lengths	104.127, 78.500, 58.420
Unit cell angles	90.00, 78.93, 90.00

Refinement procedure

Resolution	25.000 - 1.800
Rwork	0.154
Structure solution method	MOLECULAR SUBSTITUTION
Starting model (for MR)	1csh
RMSD bond length	0.014
RMSD bond angle	2.100
Data reduction software	SDMS ((DCREDUCE))
Data scaling software	SDMS ((SCALE))
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.940
High resolution limit [Å]	1.800	1.800
Rmerge	0.059	0.173
Number of reflections	36528
<I/σ(I)>	8.6	2.1
Completeness [%]	85.0	75
Redundancy	2	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		CRYSTALLIZED FROM 1.01M NA MALATE, PH 6.0 2 MM NITROMETHYLDETHIA COENZYME A THE CELL ANGLE BETA IS DEFINED AS THE ACUTE ANGLE FOR CONSISTENCY WITH PREVIOUS PDB ENTRIES OF CITRATE SYNTHASE IN THIS SPACE GROUP