8SSX

Crystal structure of Bacillus anthracis dihydrofolate reductase at 1.65-A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 32 2 1
Unit cell lengths	59.623, 59.623, 83.025
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.058 - 1.650
R-factor	0.1859
Rwork	0.184
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.978
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (v1.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.042	0.018	0.431
Total number of observations	144551
Number of reflections	21011	2253	1974
<I/σ(I)>	12.7
Completeness [%]	99.5	99.7	95.5
Redundancy	6.9	6.9	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Ammonium sulfate, etc.