3TUX

Crystal structure of RtcA.ATP.Mn ternary 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	69.530, 83.060, 52.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.658 - 1.850
R-factor	0.1886
Rwork	0.185
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kgd
RMSD bond length	0.007
RMSD bond angle	1.164
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: dev_833))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.310	1.950
High resolution limit [Å]	1.850	1.850
Number of reflections	25908
Completeness [%]	98.5	96.8
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	28% PEG5000 MME, 150 mM Ammonium sulfate, 100 mM MES pH6.5, 10 mM ATP, 20 mM Manganese chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K