Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-08-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.572, 63.717, 125.061 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.669 - 1.698 |
Rwork | 0.164 |
R-free | 0.19180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7lrl |
RMSD bond length | 0.015 |
RMSD bond angle | 1.900 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 1.730 |
High resolution limit [Å] | 1.698 | 1.698 |
Number of reflections | 51775 | 4610 |
<I/σ(I)> | 15.8 | 1.86 |
Completeness [%] | 98.7 | |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 290 | 17.5% PEG 3350, 0.4M Calcium Cl |