5XXH
Crystal Structure Analysis of the CBP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2016-03-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97791 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 44.320, 44.320, 121.292 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.430 - 1.620 |
R-factor | 0.192 |
Rwork | 0.191 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nyx |
RMSD bond length | 0.008 |
RMSD bond angle | 1.330 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.5.23) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.650 | 1.640 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmerge | 0.085 | 0.335 |
Rmeas | 0.088 | 0.344 |
Rpim | 0.021 | 0.080 |
Total number of observations | 322175 | 16584 |
Number of reflections | 18496 | 894 |
<I/σ(I)> | 22.2 | 9.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 17.4 | 18.6 |
CC(1/2) | 0.998 | 0.985 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 30% PEG 3350, 0.2M MgCl2, 0.1M Tris HCl, PH 8.5 |