3SG1

2.6 Angstrom Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1 (MurA1) from Bacillus anthracis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	78.666, 125.217, 79.472
Unit cell angles	90.00, 105.73, 90.00

Refinement procedure

Resolution	29.880 - 2.600
R-factor	0.1836
Rwork	0.180
R-free	0.25472
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ejd
RMSD bond length	0.007
RMSD bond angle	1.270
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.103	0.509
Number of reflections	45804
<I/σ(I)>	12.6	2.7
Completeness [%]	100.0	100
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	Protein solution: 7.7 mg/mL, 0.25M Sodium chloride, 0.01M Tris-HCl (pH 8.3), Screen solution: PEG's II, condition D10, 0.2M Sodium acetate, 0.1M Tris (pH 8.5), 30% (w/v) PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 295K