1FUR

FUMARASE MUTANT H188N WITH BOUND SUBSTRATE L-MALATE AT PUTATIVE ACTIVATOR SITE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1996-07
Detector	SIEMENS
Spacegroup name	C 2 2 21
Unit cell lengths	104.030, 219.320, 86.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.950
R-factor	0.17
Rwork	0.170
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fuo
RMSD bond length	0.006
RMSD bond angle	21.100 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000	1.880
High resolution limit [Å]	1.950	1.810
Rmerge	0.064	0.360
Number of reflections	79307
<I/σ(I)>	10.2	0.55
Completeness [%]	88.0	75 *
Redundancy	5.2	0.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6 *		PROTEIN WAS CRYSTALLIZED FROM 150MM CITRATE PH 5.0 AND 14% PEG 4000

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	citrate	300 (mM)
2	1	1	PEG3350	12-14 (%(w/v))