6Y3C
Human COX-1 Crystal Structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 70 |
| Detector technology | PIXEL |
| Collection date | 2019-10-16 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 182.110, 182.110, 103.240 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 78.856 - 3.361 |
| R-factor | 0.2141 |
| Rwork | 0.208 |
| R-free | 0.26290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wbe |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | Sir2014 |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.050 | 3.450 |
| High resolution limit [Å] | 3.360 | 3.360 |
| Rmerge | 0.467 | 4.186 |
| Rmeas | 0.473 | 4.283 |
| Rpim | 0.103 | 0.905 |
| Number of reflections | 14886 | 1081 |
| <I/σ(I)> | 14.3 | 1.4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 20 | 20 |
| CC(1/2) | 0.999 | 0.636 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 293 | Sodium citrate 0.7M, LiCl 0.72M |
