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) |
