8TJ0
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 5' 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 | 72.955, 132.788, 133.193 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.930 - 3.240 |
R-factor | 0.1973 |
Rwork | 0.194 |
R-free | 0.22480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.509 |
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] | 37.930 | 3.356 |
High resolution limit [Å] | 3.240 | 3.240 |
Rmerge | 0.089 | 0.891 |
Rmeas | 0.096 | 0.959 |
Rpim | 0.036 | 0.352 |
Number of reflections | 10530 | 1028 |
<I/σ(I)> | 12.45 | 2.3 |
Completeness [%] | 98.6 | 97.3 |
Redundancy | 7.2 | 7.4 |
CC(1/2) | 0.999 | 0.927 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 400 mM MgCl2, 24% PEG 400, and 80 mM Tris HCl |