3TI2

1.90 Angstrom resolution crystal structure of N-terminal domain 3-phosphoshikimate 1-carboxyvinyltransferase from Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	77.758, 40.072, 133.861
Unit cell angles	90.00, 90.33, 90.00

Refinement procedure

Resolution	29.810 - 1.900
R-factor	0.1534
Rwork	0.151
R-free	0.19557
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nvs
RMSD bond length	0.019
RMSD bond angle	1.943
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.097	0.569
Number of reflections	65572
<I/σ(I)>	13.8	2.6
Completeness [%]	99.9	99.8
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	Protein: 4.0 mGr/mL, 0.25 M Sodium chloride, 0.01 M Tris-HCl (pH 8.3) Crystallization: Classics II (Qiagen) condition D10 0.1 M Bis-Tris pH 6.5 20% (w/v) PEG 5000 MME, VAPOR DIFFUSION, SITTING DROP, temperature 295K