1G6X
ULTRA HIGH RESOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT WITH ALTERED BINDING LOOP SEQUENCE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-07-07 |
Detector | MARRESEARCH |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 51.891, 51.891, 43.035 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 0.860 |
R-factor | 0.1068 |
R-free | 0.14000 |
Structure solution method | EXISTING MODEL |
Starting model (for MR) | 1qlq |
RMSD bond length | 0.023 |
RMSD bond angle | 0.043 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 0.900 |
High resolution limit [Å] | 0.860 | 0.860 |
Rmerge | 0.036 | 0.488 |
Total number of observations | 814213 * | |
Number of reflections | 47018 | |
<I/σ(I)> | 54.1 | 3.61 |
Completeness [%] | 94.9 | 88.6 |
Redundancy | 17.3 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 19 * | Czapinska, H., (2000) J.Mol.Biol., 295, 1237. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 14 (mg/ml) | |
2 | 1 | reservoir | PEG400 | 2 (%) | |
3 | 1 | reservoir | ammonium sulfate | 2.0 (M) | |
4 | 1 | reservoir | sodium HEPES | 0.1 (M) |