Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 291 |
Detector technology | CCD |
Collection date | 2013-10-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 212.020, 434.570, 623.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 69.320 - 2.900 |
R-factor | 0.186 |
Rwork | 0.186 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ybb |
RMSD bond length | 0.013 |
RMSD bond angle | 2.001 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.324 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.208 | 1.686 |
Number of reflections | 1077740 | |
<I/σ(I)> | 6.71 | 0.23 |
Completeness [%] | 77.3 | 5.4 |
Redundancy | 6.39 | 1.03 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.5 | 291 | PEG8k, MPD, KSCN |
1 | MICROBATCH | 6.5 | 291 | PEG8k, MPD, KSCN |