8SU7

Crystal structure of Bacillus anthracis dihydroneopterin aldolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0000
Spacegroup name	I 4
Unit cell lengths	63.712, 63.712, 134.865
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.800 - 2.400
R-factor	0.2266
Rwork	0.221
R-free	0.27720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f3m
RMSD bond length	0.006
RMSD bond angle	0.753
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.490
High resolution limit [Å]	2.400	5.160	2.400
Rmerge	0.040	0.034	0.142
Rmeas	0.045	0.038	0.159
Rpim	0.020	0.018	0.069
Total number of observations	45448
Number of reflections	9468	1059	761
<I/σ(I)>	17.2
Completeness [%]	90.2	98.4	73.7
Redundancy	4.8	4.9	4.5
CC(1/2)	0.998	0.997	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	CHO2Na, PEG3350, Ethylene glycol, etc.