3Q94

The crystal structure of fructose 1,6-bisphosphate aldolase from Bacillus anthracis str. 'Ames Ancestor'

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97910
Spacegroup name	P 31 2 1
Unit cell lengths	95.155, 95.155, 155.967
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.507 - 2.301
R-factor	0.1684
Rwork	0.166
R-free	0.22180
Structure solution method	MIR
Starting model (for MR)	1rvg
RMSD bond length	0.008
RMSD bond angle	1.035
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.500	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.176	0.705
Number of reflections	36984
<I/σ(I)>	10.5	1.91
Completeness [%]	99.9	99.8
Redundancy	5.1	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	289	0.2M Zn Acetate, 0.1M Na Acetate, 10% PEG 3000, 20mM fructose 1,6-bisphosphate, 20mM D-glyceric acid hemicalcium, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K