5D4O

Structure of CPII, a nitrogen regulatory PII-like protein from Thiomonas intermedia K12, bound to ADP, AMP and bicarbonate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-10-13
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	51.440, 75.450, 80.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.900 - 1.800
R-factor	0.2072
Rwork	0.206
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d4l
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			1.840
High resolution limit [Å]	1.800	8.030	1.800
Rmerge	0.050	0.024	0.563
Rmeas	0.055	0.027	0.618
Total number of observations	191688
Number of reflections	29590	392	2037
<I/σ(I)>	19.24	50.92	2.74
Completeness [%]	99.4	99.7	94.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	298	0.15 M KBr, 30% (w/v) PEG MME 2000