4QRG
Crystal structure of I86L mutant of papain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Wavelength(s) | 0.9737 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.722, 75.218, 116.463 |
| Unit cell angles | 90.00, 93.21, 90.00 |
Refinement procedure
| Resolution | 39.339 - 2.497 |
| R-factor | 0.1619 |
| Rwork | 0.157 |
| R-free | 0.22250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.082 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
| High resolution limit [Å] | 2.497 | 6.780 | 2.500 |
| Rmerge | 0.110 | 0.041 | 0.556 |
| Number of reflections | 25630 | ||
| <I/σ(I)> | 6.4 | ||
| Completeness [%] | 99.8 | 99.6 | 97.4 |
| Redundancy | 3.9 | 3.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 7.5 | 298 | 8% PEG 4000, pH 7.5, hanging drop, temperature 298K |
