7ELF

Nitrilase-Like Protein Nit2 from Kluyve-romyces lactis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-23
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	78.997, 211.065, 89.372
Unit cell angles	90.00, 112.11, 90.00

Refinement procedure

Resolution	45.680 - 2.200
R-factor	0.1691
Rwork	0.168
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h5u
RMSD bond length	0.009
RMSD bond angle	0.941
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	68559	6799
<I/σ(I)>	16.96
Completeness [%]	99.9
Redundancy	5.7
CC(1/2)	0.991	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	26% w/v polyethylene glycol (PEG 3350), 0.3M Ammonium tartrate dibasic