5EYG

Crystal structure of IMPase/NADP phosphatase complexed with NADP and Ca2+

Replaces:  4G62

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-03-05
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	72.089, 78.880, 112.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.590 - 2.200
R-factor	0.1635
Rwork	0.161
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qmf
RMSD bond length	0.018
RMSD bond angle	2.111
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP (10.2.35)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.569	19.594	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.028	0.480
Rmeas	0.130
Rpim	0.048	0.011	0.193
Total number of observations	240153	7561	34292
Number of reflections	33204
<I/σ(I)>	16.4	52.8	4.4
Completeness [%]	99.9	95.7	99.9
Redundancy	7.2	6.7	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.2M CACL2 2H2O, 0.1M BIS-TRIS PH 6.5, 22%(W/V) PEG 3350