4IQE

Crystal Structure of Carboxyvinyl-Carboxyphosphonate Phosphorylmutase from Bacillus anthracis str. Ames Ancestor

Replaces:  3KZ2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97951
Spacegroup name	P 32 2 1
Unit cell lengths	106.166, 106.166, 113.449
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.080 - 2.501
R-factor	0.163
Rwork	0.159
R-free	0.17800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 3IH1
RMSD bond length	0.003
RMSD bond angle	0.574
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.8.1_1161))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.080	2.540
High resolution limit [Å]	2.500	2.500
Number of reflections	26004
<I/σ(I)>	10.2	3.44
Completeness [%]	100.0	100
Redundancy	12.3	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	5 % Tecsimate pH 7.0, 0.1 M Hepes pH 7.0, 10 % PEG 5000, VAPOR DIFFUSION, SITTING DROP, temperature 291K