3NB6

Crystal structure of Aquifex aeolicus peptidoglycan glycosyltransferase in complex with Methylphosphoryl Neryl Moenomycin

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
Spacegroup name	I 2 2 2
Unit cell lengths	54.516, 100.398, 103.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.520 - 2.700
R-factor	0.215
Rwork	0.215
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oqo
RMSD bond length	0.008
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	28.520
High resolution limit [Å]	2.700
Number of reflections	7845
Completeness [%]	97.4

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