5K8P

Zn2+/Tetrahedral intermediate-bound R289A 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	2015-06-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	185.884, 247.634, 247.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.160 - 2.200
R-factor	0.1739
Rwork	0.174
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k8o
RMSD bond length	0.012
RMSD bond angle	1.118
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]	37.160
High resolution limit [Å]	2.200
Number of reflections	337936
<I/σ(I)>	14.63
Completeness [%]	98.3
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M sodium cacodylate pH 6.5, 0.65 M trisodium citrate, 12 mM zinc acetate, 0.22 mM 5-nitroanthranilic acid