1BQ4
SACCHAROMYCES CEREVISIAE PHOSPHOGLYCERATE MUTASE IN COMPLEX WITH BENZENE HEXACARBOXYLATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-01-15 |
Detector | RIGAKU RAXIS |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.510, 92.520, 148.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
R-factor | 0.204 |
Rwork | 0.204 |
R-free | 0.25400 |
Structure solution method | OTHER |
Starting model (for MR) | 5pgm |
RMSD bond length | 0.016 |
RMSD bond angle | 2.000 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.097 | 0.254 |
Number of reflections | 49354 | |
<I/σ(I)> | 6 | 2.7 |
Completeness [%] | 63.0 | 47.5 |
Redundancy | 1.7 | 1.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 8.65 | Rigden, D.J., (1998) J.Mol.Biol., 276, 449. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | inositol hexakisphosphate | 1 (mM) | |
3 | 1 | reservoir | Tris-HCl | 60 (mM) | pH8.65 |
4 | 1 | reservoir | lithium sulfate | 120 (mM) | |
5 | 1 | reservoir | PEG4000 | 22-24 (%) |