4W5H

New structural conformations of adenylate kinase from Streptococcus pneumoniae D39

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-08
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	73.508, 54.331, 62.711
Unit cell angles	90.00, 118.85, 90.00

Refinement procedure

Resolution	29.060 - 1.960
R-factor	0.181
Rwork	0.177
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ntz
RMSD bond length	0.005
RMSD bond angle	0.885
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.060	1.990
High resolution limit [Å]	1.960	1.960
Rmerge	0.065	0.210
Number of reflections	15454
<I/σ(I)>	12.3	6.3
Completeness [%]	98.9	96.1
Redundancy	4.5	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	1.0 M sodium citrate, 0.1M HEPES pH 7.5