Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-31 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 162.975, 81.175, 91.480 |
Unit cell angles | 90.00, 91.27, 90.00 |
Refinement procedure
Resolution | 45.729 - 2.701 |
R-factor | 0.2159 |
Rwork | 0.214 |
R-free | 0.25730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yd6 4dep 3o4o |
RMSD bond length | 0.007 |
RMSD bond angle | 1.262 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.429 | |
Number of reflections | 32256 | |
<I/σ(I)> | 12.1 | 3.2 |
Completeness [%] | 98.7 | 95.9 |
Redundancy | 5.1 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 15% PEG4 000, 0.1 M MES, PH 6.0 |