4Q89

Crystal Structure of the CotA native enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-02
Detector	MAR CCD 165 mm
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	53.013, 119.864, 84.136
Unit cell angles	90.00, 93.99, 90.00

Refinement procedure

Resolution	29.620 - 2.310
R-factor	0.1537
Rwork	0.150
R-free	0.21536
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gsk
RMSD bond length	0.015
RMSD bond angle	1.704
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.620
High resolution limit [Å]	2.310
Number of reflections	43508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	12-15.5% PEG3350, 0.1M MgCl2, 0.1M pH 6.5 Bis-tris, VAPOR DIFFUSION, HANGING DROP, temperature 291K