8ET0
Crystal Complex of murine Cyclooxygenase-2 with alpaca nanobody F9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-19 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 41 |
Unit cell lengths | 141.526, 141.526, 90.429 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.200 - 2.150 |
R-factor | 0.182 |
Rwork | 0.181 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nt1 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.23) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 141.530 | 2.180 |
High resolution limit [Å] | 2.147 | 2.150 |
Rmerge | 0.106 | 2.098 |
Rmeas | 0.112 | 2.225 |
Rpim | 0.037 | 0.734 |
Total number of observations | 877793 | 39944 |
Number of reflections | 190724 | 4570 |
<I/σ(I)> | 13.5 | 0.9 |
Completeness [%] | 99.7 | 94.4 |
Redundancy | 9 | 8.7 |
CC(1/2) | 0.998 | 0.491 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.1 M Tris-Cl pH 8.5, 40-75% (+/-)-2-Methyl-2,4-pentanediol |