6UMQ
Structure of DUF89
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 12.3.1 |
Synchrotron site | ALS |
Beamline | 12.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.11 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 90.140, 194.473, 114.201 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.490 - 1.850 |
R-factor | 0.1971 |
Rwork | 0.196 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pt1 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.215 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.490 | 1.916 |
High resolution limit [Å] | 1.840 | 1.850 |
Rmerge | 0.118 | 0.215 |
Number of reflections | 85552 | 8480 |
<I/σ(I)> | 8.4 | |
Completeness [%] | 98.5 | 99.27 |
Redundancy | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277.15 | 18% PEG 4000, 200mM MgCl2, 100mM Tris-HCl pH 8.5 |