2QA9
Crystal structure of the second tetrahedral intermediates of SGPB at pH 4.2
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 | 2003-09-14 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 43.461, 107.470, 36.792 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.180 |
| R-factor | 0.14727 |
| Rwork | 0.145 |
| R-free | 0.18204 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sgr |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.467 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.220 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Number of reflections | 56646 | |
| <I/σ(I)> | 12.4 | 3.1 |
| Completeness [%] | 98.3 | 91.7 |
| Redundancy | 3.6 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 298 | 10 mg/mL SGPB in 10 mM MgCl2 0.7 M KH2PO4 pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
