Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-13 |
Detector | MARRESEARCH SX-165 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.488, 111.643, 227.026 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.979 - 2.450 |
R-factor | 0.1854 |
Rwork | 0.185 |
R-free | 0.22440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.119 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.140 | 2.580 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.060 | 0.460 |
Number of reflections | 306983 | |
<I/σ(I)> | 19.8 | 4.2 |
Completeness [%] | 99.3 | 99.4 |
Redundancy | 4.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 26-30% (V/V) PEG 750MME, 0.1 M HEPES PH 7.0. |