Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2017-12-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9677 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 95.650, 105.650, 158.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.181 - 1.870 |
Rwork | 0.154 |
R-free | 0.18000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6yru |
RMSD bond length | 0.011 |
RMSD bond angle | 1.698 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 88.000 | 88.000 | 2.000 |
High resolution limit [Å] | 1.870 | 5.250 | 1.870 |
Rmerge | 0.109 | 0.040 | 1.064 |
Rmeas | 0.124 | 0.046 | 1.208 |
Number of reflections | 65032 | 2988 | 11946 |
<I/σ(I)> | 7.58 | 27.15 | 0.98 |
Completeness [%] | 98.1 | 93.5 | 99.7 |
Redundancy | 4.278 | 4.437 | 4.287 |
CC(1/2) | 0.996 | 0.998 | 0.436 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 281 | PEG 4000, Na citrate, spermidine |