Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 127.120, 206.250, 211.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.010 - 2.600 |
R-factor | 0.1885 |
Rwork | 0.187 |
R-free | 0.21132 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5VFL |
RMSD bond length | 0.014 |
RMSD bond angle | 1.734 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0216) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.010 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.153 | 1.445 |
Number of reflections | 171050 | 8374 |
<I/σ(I)> | 10.5 | 1.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.3 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2 M AMMONIUM CITRATE TRIBASIC 20% W/V PEG 3350 0.5 MM AG1, PH 7.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K |