Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97610 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.290, 86.259, 46.299 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.300 - 1.540 |
R-factor | 0.1949 |
Rwork | 0.193 |
R-free | 0.22470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.124 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.297 | 48.297 | 1.620 |
High resolution limit [Å] | 1.540 | 4.870 | 1.540 |
Rmerge | 0.063 | 0.023 | 0.791 |
Total number of observations | 4485 | 7120 | |
Number of reflections | 29415 | ||
<I/σ(I)> | 14.7 | 26.4 | 1 |
Completeness [%] | 83.7 | 98.2 | 42 |
Redundancy | 3.9 | 3.7 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 277 | 1.0 M KSCN, 0.1 M BIS-TRIS-HCL, 10% DMSO, pH 7.0, VAPOR DIFFUSION, temperature 277K |