5K8N

5NAA-bound 5-nitroanthranilate aminohydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	186.463, 248.875, 249.284
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.280 - 3.225
R-factor	0.1783
Rwork	0.177
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.353
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	46.280
High resolution limit [Å]	3.220
Number of reflections	87398
<I/σ(I)>	9.59
Completeness [%]	93.9
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	1.27 M Monosodium phosphate, 0.63 M Dipotassium phosphate, 0.22 mM 5-nitroanthralinic acid