2QAA
Crystal structure of the second tetrahedral intermediates of SGPB at pH 7.3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Detector technology | CCD |
| Collection date | 2003-10-22 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.127 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 142.286, 142.286, 142.286 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.230 |
| R-factor | 0.11326 |
| Rwork | 0.113 |
| R-free | 0.12713 |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.414 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.270 |
| High resolution limit [Å] | 1.230 | 1.230 |
| Number of reflections | 136369 | |
| <I/σ(I)> | 37.3 | 3 |
| Completeness [%] | 99.0 | 90.5 |
| Redundancy | 8.5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | 10 mg/mL SGPB in 10 mM MgCl2 1.0 M Li2SO4, 0.1 M HEPES-NaOH pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
