5IRL

Crystal structure of rabbit NOD2 SER mutant in an ADP-bound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-10
Detector	RAYONIX MX225HE
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	77.900, 107.845, 185.365
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.220 - 3.090
R-factor	0.20113
Rwork	0.199
R-free	0.25026
RMSD bond length	0.009
RMSD bond angle	1.368
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall
Low resolution limit [Å]	93.220
High resolution limit [Å]	3.090
Number of reflections	27203
<I/σ(I)>	12.7
Completeness [%]	98.8
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	277	5% PEG 20000, 5% MPD, 100 mM Hepes pH 7.8, 500 mM NaCl