9NCR
Isoreticular, Porous co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and additional G/C rich expansion sequence
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 | 2022-06-08 |
| Detector | RDI CMOS_8M |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 76.032, 124.855, 139.093 |
| Unit cell angles | 90.00, 91.85, 90.00 |
Refinement procedure
| Resolution | 34.760 - 3.240 |
| R-factor | 0.2214 |
| Rwork | 0.220 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.669 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.760 | 3.320 |
| High resolution limit [Å] | 3.240 | 3.240 |
| Rmerge | 0.052 | 1.415 |
| Rmeas | 0.074 | 2.002 |
| Rpim | 0.052 | 1.415 |
| Number of reflections | 42728 | 79 |
| <I/σ(I)> | 5.56 | 0.93 |
| Completeness [%] | 96.6 | 90.9 |
| Redundancy | 1 | 1.1 |
| CC(1/2) | 0.998 | 0.417 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 1M lithium sulfate, 30mM Magnesium acetate, 50mM MES |
