Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-08-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 204.557, 177.390, 244.553 |
Unit cell angles | 90.00, 112.94, 90.00 |
Refinement procedure
Resolution | 75.400 - 2.150 |
R-factor | 0.1877 |
Rwork | 0.186 |
R-free | 0.21980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vbi |
RMSD bond length | 0.008 |
RMSD bond angle | 1.307 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.470 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.160 | 0.610 |
Number of reflections | 858032 | |
<I/σ(I)> | 19.9 | 2.3 |
Completeness [%] | 98.9 | 96.9 |
Redundancy | 6 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 0.15 M SODIUM CITRATE, PH 5.5, 14% PEG 3350, 1 MM PYRUVATE |