3VNQ

Co-crystal structure of NRPS adenylation protein CytC1 with ATP from streptomyces

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-14
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	I 2 3
Unit cell lengths	156.146, 156.146, 156.146
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.915 - 2.100
R-factor	0.1858
Rwork	0.184
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1amu
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.066	0.405
Number of reflections	37003
<I/σ(I)>	53.384	7.878
Completeness [%]	100.0	100
Redundancy	15.1	15.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	0.1M ammonium sulfate, 24-32% PEG5000 monomethyl ether, 1mM ATP, 100mM Hepes buffer, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K