3TUT

Crystal structure of RtcA.ATP binary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	130
Detector technology	PIXEL
Collection date	2011-04-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9499
Spacegroup name	P 21 21 2
Unit cell lengths	69.210, 82.670, 52.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.488 - 1.580
R-factor	0.202
Rwork	0.200
R-free	0.25220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kgd
RMSD bond length	0.010
RMSD bond angle	1.282
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.490	1.670
High resolution limit [Å]	1.580	1.580
Number of reflections	41491
<I/σ(I)>	13.1
Completeness [%]	99.6	97.2
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG5000-MME, Ammonium sulfate, MES pH 6.5, ATP, VAPOR DIFFUSION, HANGING DROP, temperature 293K