6YWN
CutA in complex with CMPCPP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 88.220, 93.470, 86.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.080 - 1.450 |
R-factor | 0.1574 |
Rwork | 0.156 |
R-free | 0.18160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | XXXX |
RMSD bond length | 0.012 |
RMSD bond angle | 1.206 |
Data reduction software | XDS (1.17.1_3660) |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.18_3861) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.080 | 1.540 |
High resolution limit [Å] | 1.450 | 1.450 |
Number of reflections | 63468 | 10054 |
<I/σ(I)> | 13 | |
Completeness [%] | 99.6 | 98.5 |
Redundancy | 12.9 | 12.2 |
CC(1/2) | 0.990 | 0.650 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298.15 | 0.1 M sodium formate and 20% polyethylene glycol 3350 |