Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2014-12-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 135.669, 165.604, 156.626 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.626 - 2.137 |
R-factor | 0.184 |
Rwork | 0.184 |
R-free | 0.20110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3trp |
RMSD bond length | 0.005 |
RMSD bond angle | 0.684 |
Data reduction software | HKL-2000 (v712) |
Data scaling software | HKL-2000 (v712) |
Phasing software | PHENIX (1.10_2155) |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.626 | 2.213 |
High resolution limit [Å] | 2.137 | 2.137 |
Rmerge | 0.092 | 0.888 |
Number of reflections | 96658 | |
<I/σ(I)> | 13.4 | 2.29 |
Completeness [%] | 99.0 | 94 |
Redundancy | 7.1 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1 M HEPES, 27.5 % (v/v) 2-methyl-2,4-pentanediol, 0.2 M NaCl |