Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-09-20 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 60.400, 157.400, 77.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.540 - 2.350 |
R-factor | 0.2048 |
Rwork | 0.202 |
R-free | 0.26350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lw1 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.221 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.540 | 45.540 | 2.400 |
High resolution limit [Å] | 2.350 | 4.000 | 2.350 |
Rmerge | 0.056 | 0.039 | 0.467 |
Rmeas | 0.059 | 0.042 | 0.493 |
Number of reflections | 15745 | 3329 | 942 |
<I/σ(I)> | 22.44 | 45.48 | 4.74 |
Completeness [%] | 99.9 | 99.8 | 100 |
Redundancy | 9.199 | 8.821 | 9.63 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277.15 | 0.09 M HEPES sodium salt, 1.26 M Tri-Sodium Citrate, 10 % Glycerol, pH 7.5 |