1ML1
PROTEIN ENGINEERING WITH MONOMERIC TRIOSEPHOSPHATE ISOMERASE: THE MODELLING AND STRUCTURE VERIFICATION OF A SEVEN RESIDUE LOOP
Experimental procedure
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 1995-12 |
Detector | MARRESEARCH |
Spacegroup name | P 3 |
Unit cell lengths | 165.230, 165.230, 51.230 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.000 - 2.600 |
R-factor | 0.231 |
Rwork | 0.231 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ttj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.610 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.000 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.072 | 0.297 * |
Total number of observations | 124266 * | |
Number of reflections | 45363 | |
<I/σ(I)> | 12 | 3 |
Completeness [%] | 94.6 | 96.2 |
Redundancy | 2.7 | 1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 | 20 * | PLEASE SEE JRNL ARTICLE, pH 7.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5 (mg/ml) | |
10 | 1 | reservoir | 1.0 (M) | ||
11 | 1 | reservoir | ammonium sulphate | 0.7 (M) | |
12 | 1 | reservoir | dithiothreitol | 1 (mM) | |
13 | 1 | reservoir | EDTA | 1 (mM) | |
14 | 1 | reservoir | sodium azide | 1 (mM) | |
2 | 1 | drop | TEA-HCl | 10 (mM) | |
3 | 1 | drop | 25 (mM) | ||
4 | 1 | drop | dithiothreitol | 1 (mM) | |
5 | 1 | drop | EDTA | 1 (mM) | |
6 | 1 | drop | sodium azide | 1 (mM) | |
7 | 1 | drop | 2PG | 10 (mM) | |
8 | 1 | drop | reservoir solution | 1 ml | |
9 | 1 | reservoir | Tris-HCl | 100 (mM) |