1JRR
HUMAN PLASMINOGEN ACTIVATOR INHIBITOR-2.[LOOP (66-98) DELETIONMUTANT] COMPLEXED WITH PEPTIDE MIMIckING THE REACTIVE CENTER LOOP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-12-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 93.139, 104.160, 41.395 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.010 - 1.600 |
| R-factor | 0.19815 |
| Rwork | 0.197 |
| R-free | 0.22529 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 * |
| RMSD bond angle | 2.200 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.010 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.049 * | 0.220 |
| Total number of observations | 313356 * | |
| Number of reflections | 49516 | |
| <I/σ(I)> | 9.3 | 3 |
| Completeness [%] | 95.1 | 74.6 |
| Redundancy | 6.3 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | PEG 8000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | HEPES | 5 (mM) | |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | reservoir | PEG8000 | 13 (%) | |
| 5 | 1 | reservoir | magnesium acetate | 0.1 (M) | |
| 6 | 1 | reservoir | HEPES | 0.1 (M) |
