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 |