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 |