2ISB

Crystal structure of Fumarase of FUM-1 (NP_069927.1) from Archaeoglobus Fulgidus at 1.66 A resolution

Replaces:  1VPJ

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-09-26
Detector	ADSC QUANTUM 210
Wavelength(s)	1.00000, 0.97966, 0.97950
Spacegroup name	P 43 21 2
Unit cell lengths	51.664, 51.664, 157.756
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.152 - 1.660
R-factor	0.175
Rwork	0.174
R-free	0.19700
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.501
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	21.152	21.180	1.750
High resolution limit [Å]	1.660	5.250	1.660
Rmerge	0.088	0.054	0.664
Total number of observations		5600	12686
Number of reflections	25660
<I/σ(I)>	5.1	7.8	1
Completeness [%]	97.8	97.8	86.2
Redundancy	6.3	5.9	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	7.8	277	0.2M Li Acetate, 20.0% PEG-3350, No Buffer, pH 7.8, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K