6KUA

Crystal structure of the nicotinamidase SaPncA from Staphylococcus aureus

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	2018-06-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979462
Spacegroup name	P 41
Unit cell lengths	89.019, 89.019, 210.694
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.400 - 2.104
R-factor	0.1825
Rwork	0.180
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zn8
RMSD bond length	0.008
RMSD bond angle	0.841
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	93388	4524
<I/σ(I)>	29.37
Completeness [%]	99.4
Redundancy	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	287.15	0.2M Ammonium acetate, 0.1M sodium citrate tribasic dihydrate pH 5.6, 30% (v/v) PEG 4000