5NTB
Streptomyces papain inhibitor (SPI)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.007 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.350, 45.080, 112.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.863 - 1.500 |
| R-factor | 0.1638 |
| Rwork | 0.163 |
| R-free | 0.18360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jcw |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.897 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_2733) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.900 | 1.600 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.090 | 1.030 |
| Number of reflections | 31262 | 5375 |
| <I/σ(I)> | 16.6 | 3.1 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 12.2 | 12 |
| CC(1/2) | 0.999 | 0.789 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 2.2M Ammonium sulphate, 200 mM Litium chloride |
