4U87
Crystal structure of the Ba-soaked C2 crystal form of pMV158 replication initiator RepB (P3221 space group)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-16 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 2.0702 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 85.800, 85.800, 246.160 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.770 - 3.800 |
| R-factor | 0.2065 |
| Rwork | 0.205 |
| R-free | 0.23710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dkx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.168 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.770 | 4.000 |
| High resolution limit [Å] | 3.800 | 3.800 |
| Rmerge | 0.236 | 0.731 |
| Number of reflections | 19844 | |
| <I/σ(I)> | 7.54 | 2.82 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 7.54 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 12% PEG 8000, 100mM BaCl2, 50mM TRIS HCl, pH 8.5 |
