1NLU
Pseudomonas sedolisin (serine-carboxyl proteinase) complexed with two molecules of pseudo-iodotyrostatin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-08-09 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 62 |
| Unit cell lengths | 97.840, 97.840, 82.680 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.300 |
| Rwork | 0.164 |
| R-free | 0.19440 * |
| Structure solution method | AB INITIO |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.029 |
| 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] | 30.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.082 * | 0.771 * |
| Total number of observations | 848476 * | |
| Number of reflections | 110018 | |
| <I/σ(I)> | 20.3 | 2.28 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 4.8 * | 298 | Wlodawer, A., (2001) Biochemistry, 40, 15602. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 9 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | pH4.8 | |
| 3 | 1 | drop | 0.1 (M) | ||
| 4 | 1 | drop | 5 (mM) | ||
| 5 | 1 | reservoir | guanidine hydrochloride | 5 (%) | |
| 6 | 1 | reservoir | glycerol | 10 (%) | |
| 7 | 1 | reservoir | methanol | 5 (%) | |
| 8 | 1 | reservoir | ammonium sulfate | 44-50 (%) | |
| 9 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.3 |
