2IBP
Crystal Structure of Citrate Synthase from Pyrobaculum aerophilum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.418, 89.803, 146.331 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.470 - 1.600 |
| R-factor | 0.15929 |
| Rwork | 0.158 |
| R-free | 0.18975 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vgp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.227 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.470 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 107121 | |
| <I/σ(I)> | 21.2 | 3.2 |
| Completeness [%] | 95.5 | 90.2 |
| Redundancy | 6.9 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | 20% PEG 8000, 0.1M Sodium cacodylate trihydrate pH 6.5, 0.2M Magnesium acetate tetrahydrate, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
