2W1V

Crystal structure of mouse nitrilase-2 at 1.4A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 32
Unit cell lengths	90.268, 90.268, 54.059
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	78.090 - 1.490
R-factor	0.144
Rwork	0.142
R-free	0.17700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f89
RMSD bond length	0.009
RMSD bond angle	1.305
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.090	1.530
High resolution limit [Å]	1.490	1.490
Rmerge	0.030	0.280
Number of reflections	76281
<I/σ(I)>	41.35	2.57
Completeness [%]	99.9	100
Redundancy	2.7	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		250 MM CACL2 100 MM HEPES PH 8.0 30% V/V PEG MME 550 12 MG/ML PROTEIN