2EP7

Structural study of Project ID aq_1065 from Aquifex aeolicus VF5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-10-07
Detector	RIGAKU RAXIS V
Wavelength(s)	1.00
Spacegroup name	I 21 21 21
Unit cell lengths	109.190, 115.437, 131.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.920 - 2.300
R-factor	0.185
Rwork	0.183
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.084	0.326
Number of reflections	37377
<I/σ(I)>	13.2	5.74
Completeness [%]	99.7	100
Redundancy	8.3	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		291	20w/v(%) PEG 3350, 2.5mM NAD+, MICROBATCH, temperature 291K