6MQV
Structure of HEWL from LCP injector using synchrotron radiation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.680, 78.680, 38.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.640 - 2.000 |
R-factor | 0.198 |
Rwork | 0.195 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bwh |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.640 | 2.200 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 8582 | 203 |
<I/σ(I)> | 5.242711 | 1.44 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 88.966 | 61.4 |
CC(1/2) | 0.975 | 0.326 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 4.8 | 293 | 1.5M lithium chloride, 0.2M sodium acetate, 40% polyethelyene glycol 6,000 |