7L6S
Crystal structure of the ATPase and transducer domains of DNA topoisomerase II from Balamuthia mandrillaris CDC:V039: baboon/San Diego/1986
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 | 2020-12-10 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 87.770, 187.250, 61.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.740 - 1.950 |
R-factor | 0.1686 |
Rwork | 0.167 |
R-free | 0.19580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ZXM (as per MoRDa) |
RMSD bond length | 0.007 |
RMSD bond angle | 0.800 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX (1.19rc4 4035) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.000 |
High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
Rmerge | 0.052 | 0.028 | 0.595 |
Rmeas | 0.056 | 0.031 | 0.645 |
Number of reflections | 37513 | 477 | 2743 |
<I/σ(I)> | 21.19 | 47.13 | 3.3 |
Completeness [%] | 100.0 | 97.5 | 100 |
Redundancy | 6.719 | 5.537 | 6.81 |
CC(1/2) | 0.999 | 0.999 | 0.914 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 287 | 18 mg/mL BamaA.19955.b.B2.PW38788 in Microlytics MCSG1 screen, condition a1 (20% w/v PEG2000, 100 mM HEPES free acid / NaOH, pH 7.5) + 3 mM magnesium chloride/AMPPNP, tray 315297 a1, cryoprotectant: 20% ethylene glycol + magnesium chloride/AMPPNP, puck cgp8-1 |