3NBU
Crystal structure of pGI glucosephosphate isomerase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.11587 |
Spacegroup name | P 1 |
Unit cell lengths | 69.806, 72.874, 181.851 |
Unit cell angles | 92.47, 97.82, 114.57 |
Refinement procedure
Resolution | 89.000 - 2.050 |
R-factor | 0.17227 |
Rwork | 0.169 |
R-free | 0.22952 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dqr |
RMSD bond length | 0.011 |
RMSD bond angle | 1.313 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.000 | 2.100 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.104 | 0.423 |
Number of reflections | 208294 | |
<I/σ(I)> | 9.7 | 1.7 |
Completeness [%] | 94.6 | 94.6 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 25% PEG 3350, 0.2M ammonium acetate, 0.1M Bis-Tris 5.5, 10 mM betaine HCl, VAPOR DIFFUSION, SITTING DROP, temperature 298K |