5DHD
Crystal structure of ChBD2 from Thermococcus kodakarensis KOD1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-09 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 |
Unit cell lengths | 60.245, 60.245, 68.845 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.270 |
Rwork | 0.195 |
R-free | 0.19460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dhe |
Data scaling software | SCALEPACK |
Phasing software | MOLREP (11.0.05) |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.290 |
High resolution limit [Å] | 1.270 | 3.450 | 1.270 |
Rmerge | 0.062 | 0.030 | 0.377 |
Total number of observations | 264688 | ||
Number of reflections | 36880 | ||
<I/σ(I)> | 14.1 | ||
Completeness [%] | 98.9 | 99.1 | 86.6 |
Redundancy | 7.2 | 11 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | PEGMME 5000, ammonium sulfate, MES |