Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.580, 103.010, 95.060 |
Unit cell angles | 90.00, 95.56, 90.00 |
Refinement procedure
Resolution | 34.840 - 3.000 |
R-factor | 0.2115 |
Rwork | 0.210 |
R-free | 0.24260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wao |
RMSD bond length | 0.003 |
RMSD bond angle | 0.582 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18_3861) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.840 | 3.100 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.072 | 0.240 |
Number of reflections | 19742 | 1982 |
<I/σ(I)> | 13.7 | |
Completeness [%] | 99.1 | 99.6 |
Redundancy | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.1 M HEPES, PH 7.0, 50 % PEG 4000 |