Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32B2 |
Synchrotron site | SPring-8 |
Beamline | BL32B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-09-27 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 95.758, 95.758, 104.154 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 83.050 - 2.500 |
R-factor | 0.1829 |
Rwork | 0.180 |
R-free | 0.22720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gdg |
RMSD bond length | 0.018 |
RMSD bond angle | 2.023 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.590 | |
High resolution limit [Å] | 2.500 | 5.390 | 2.500 |
Rmerge | 0.096 | 0.058 | 0.339 |
Total number of observations | 175439 | ||
Number of reflections | 19607 | ||
<I/σ(I)> | 8.4 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 8.9 | 8.1 | 9.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M HEPES(pH7.5), 65% Sat. AS, 2% PEG400 |