3SQZ
Crystal structure of HMG_CoA synthase complexed with CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-25 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.648, 56.058, 67.365 |
| Unit cell angles | 90.00, 117.33, 90.00 |
Refinement procedure
| Resolution | 31.590 - 1.200 |
| R-factor | 0.1374 |
| Rwork | 0.137 |
| R-free | 0.15480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3leh |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.245 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.210 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Number of reflections | 122118 | |
| <I/σ(I)> | 6.5 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.1 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Na Formate, 20% (w/v) polyethylene glycerol 3350 , VAPOR DIFFUSION, SITTING DROP, temperature 293K | |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Na Formate, 20% (w/v) polyethylene glycerol 3350 , VAPOR DIFFUSION, SITTING DROP, temperature 293K |
