5K8O

Mn2+/5NSA-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	2015-04-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	186.773, 249.338, 249.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.828 - 2.893
R-factor	0.1842
Rwork	0.184
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k8m
RMSD bond length	0.015
RMSD bond angle	1.316
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]	49.830
High resolution limit [Å]	2.890
Number of reflections	119036
<I/σ(I)>	11.63
Completeness [%]	92.2
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M sodium cacodylate pH 6.5, 0.75 M trisodium citrate, 16 mM manganese chloride, 0.16 mM 5-nitrosalicylic acid