Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-02 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.914, 110.368, 227.178 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.762 - 2.600 |
R-factor | 0.1887 |
Rwork | 0.188 |
R-free | 0.23720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.206 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | PHENIX ((PHENIX.REFINE: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.030 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.080 | 0.540 |
Number of reflections | 61880 | |
<I/σ(I)> | 16.6 | 3.7 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 7.3 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.9 | 26-30% (V/V) PEG 750MME, 0.1 M HEPES PH 7.0. |