Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2011-02-25 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.95367 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 127.211, 168.839, 98.495 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.948 - 3.048 |
R-factor | 0.1954 |
Rwork | 0.193 |
R-free | 0.23270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | homology model based on 1CU1 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.713 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.950 | 3.210 |
High resolution limit [Å] | 3.050 | 3.050 |
Rmerge | 0.091 | 0.482 |
Number of reflections | 40242 | |
<I/σ(I)> | 15.2 | 1.8 |
Completeness [%] | 98.3 | 93 |
Redundancy | 5.8 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.6 | 293 | 12% PEG 3350 250 mM Tri-sodium citrate 100 mM 2-aminoethanesulfonic acid |