6DT3

1.2 Angstrom Resolution Crystal Structure of Nucleoside Triphosphatase NudI from Klebsiella pneumoniae in Complex with HEPES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-11
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	33.140, 39.346, 56.294
Unit cell angles	77.07, 80.74, 86.20

Refinement procedure

Resolution	27.140 - 1.200
R-factor	0.15503
Rwork	0.153
R-free	0.18662
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.070	0.790
Rmeas	0.088	0.973
Rpim	0.052	0.563
Number of reflections	78810	3881
<I/σ(I)>	13.7	2.1
Completeness [%]	92.3	91.1
Redundancy	2.8	2.9
CC(1/2)		0.593

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	10.0 mg/mL protein, 0.5 M sodium chloride, 0.01 M Tris, pH 8.3 against Classics II (F8) (0.2 M ammonium sulfate, 0.1 M HEPES, pH 7.5, 25% w/v PEG3350)