Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 86.225, 86.225, 101.151 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 2.000 |
R-factor | 0.16959 |
Rwork | 0.168 |
R-free | 0.20829 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lgy |
RMSD bond length | 0.011 |
RMSD bond angle | 1.505 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.100 | 0.500 |
Number of reflections | 30238 | |
<I/σ(I)> | 25.72 | |
Completeness [%] | 100.0 | |
Redundancy | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 25mM Tris pH 8.0, 150mM NaCl, 0.25M (NH4)2SO4, 25% PEG 4000 |