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 |