3I1A

Crystal Structure of apo Spectinomycin Phosphotransferase, APH(9)-Ia

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2003-03-16
Detector	ADSC QUANTUM 4
Wavelength(s)	1.100,0.979462,0.979262,0.95
Spacegroup name	P 1 21 1
Unit cell lengths	47.410, 70.695, 99.307
Unit cell angles	90.00, 95.93, 90.00

Refinement procedure

Resolution	44.380 - 1.700
R-factor	0.182
Rwork	0.182
R-free	0.22800
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.380	1.760
High resolution limit [Å]	1.700	1.700
<I/σ(I)>	16.3	3.9
Completeness [%]	95.5	97.9
Redundancy	4.3	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	PEG 200, PEG 3000, aminocaproic acid, DMSO, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K