6BQ9

2.55 Angstrom Resolution Crystal Structure of N-terminal Fragment (residues 1-493) of DNA Topoisomerase IV Subunit A from Pseudomonas putida

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	2017-10-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 2 2 21
Unit cell lengths	71.494, 224.057, 115.747
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.350 - 2.550
R-factor	0.20958
Rwork	0.208
R-free	0.24654
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eix
RMSD bond length	0.008
RMSD bond angle	1.410
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.550	2.550
Rmerge	0.068	0.785
Rmeas	0.074	0.848
Rpim	0.027	0.316
Number of reflections	30230	1450
<I/σ(I)>	28.3	2.2
Completeness [%]	99.0	98.8
Redundancy	7.4	6.8
CC(1/2)		0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	Protein: 9.5 mg/ml, 0.01M Tris HCl (pH 8.3); Screen: Classics II (C1), 3.5M Sodium formate pH (7.0); Cryo: 4.0M Sodium formate