Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-27 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 61 |
Unit cell lengths | 62.557, 62.557, 81.523 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.090 - 1.950 |
R-factor | 0.18523 |
Rwork | 0.183 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.508 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.060 | 0.513 |
Number of reflections | 13257 | |
<I/σ(I)> | 26.45 | 2.7 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.7 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | RESERVOIR: 2 M SODIUM FORMATE, 0.1 M SODIUM ACETATE, PH 4.6. DROPS: 2 UL PROTEIN + 1UL RESERVOIR, PROTEIN CONCENTRATION 5MG/ML, 5-FOLD MOLAR EXCESS OF INHIBITOR (DISSOLVED IN DMSO) OVER PROTEIN, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 292K |