3TM0

Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type IIIa AMPPNP Butirosin A Complex

Replaces:  3H8P

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-04
Detector	ADSC QUANTUM 4r
Wavelength(s)	1.072
Spacegroup name	P 42 21 2
Unit cell lengths	80.112, 80.112, 110.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.571 - 2.100
R-factor	0.1837
Rwork	0.179
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l8t
RMSD bond length	0.010
RMSD bond angle	1.105
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.036	0.245
Number of reflections	19062
<I/σ(I)>	42.03	10.3
Completeness [%]	87.7	50.3
Redundancy	13.1	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	295	40% PEG600, 0.1 M sodium acetate, 0.2 M magnesium chloride, 3% D(+)-sucrose, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K