3D3H

Crystal structure of a complex of the peptidoglycan glycosyltransferase domain from Aquifex aeolicus and neryl moenomycin A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-13
Detector	ADSC QUANTUM 315
Spacegroup name	I 2 2 2
Unit cell lengths	54.939, 100.448, 104.022
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.590 - 2.310
R-factor	0.225
Rwork	0.225
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oqo
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.390
High resolution limit [Å]	2.310	2.310
Number of reflections	12059
Completeness [%]	99.1	94.8
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	100 mM HEPES, 6% PEG6K, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K