8TIZ
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and no terminal phosphates and crosslinked with EDC.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2021-11-12 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 74.220, 127.633, 137.433 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.980 - 3.110 |
R-factor | 0.1947 |
Rwork | 0.192 |
R-free | 0.21710 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.409 |
Data reduction software | XDS (Jan 31, 2020) |
Data scaling software | XSCALE (Jan 31, 2020) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.980 | 3.221 |
High resolution limit [Å] | 3.110 | 3.110 |
Rmerge | 0.109 | 1.283 |
Rmeas | 0.117 | 1.379 |
Rpim | 0.043 | 0.501 |
Number of reflections | 11965 | 1153 |
<I/σ(I)> | 13.4 | 1.91 |
Completeness [%] | 98.0 | 97.3 |
Redundancy | 7.3 | 7.5 |
CC(1/2) | 0.998 | 0.886 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 450 mM MgCl2, 25% PEG 400, and 100 mM Tris HCl |