Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 62 |
Unit cell lengths | 135.637, 135.637, 122.928 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.690 - 2.380 |
R-factor | 0.171 |
Rwork | 0.170 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ivs |
RMSD bond length | 0.013 |
RMSD bond angle | 1.385 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.470 |
High resolution limit [Å] | 2.380 | 2.380 |
Rmerge | 0.057 | 0.472 |
Number of reflections | 50397 | |
<I/σ(I)> | 35.7 | 3.02 |
Completeness [%] | 98.0 | 89.1 |
Redundancy | 9 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 297 | Sodium and potassium phosphate, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 297K |