8TIY
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 1 sticky bases and 3' 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 | 73.644, 128.328, 137.221 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.820 - 3.110 |
R-factor | 0.208 |
Rwork | 0.205 |
R-free | 0.23120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.350 |
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] | 36.820 | 3.221 |
High resolution limit [Å] | 3.110 | 3.110 |
Rmerge | 0.073 | 0.914 |
Rmeas | 0.079 | 0.983 |
Rpim | 0.030 | 0.360 |
Number of reflections | 11893 | 1168 |
<I/σ(I)> | 17.8 | 2.4 |
Completeness [%] | 96.5 | 96.76 |
Redundancy | 7.2 | 7.4 |
CC(1/2) | 0.999 | 0.938 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 350 mM MgCl2, 25% PEG 400, and 100 mM Tris HCl |