4QRX
Crystal structure of pro-papain mutant at pH 4.0
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 | 42.592, 74.212, 116.233 |
| Unit cell angles | 90.00, 92.46, 90.00 |
Refinement procedure
| Resolution | 40.520 - 3.138 |
| R-factor | 0.1669 |
| Rwork | 0.162 |
| R-free | 0.25440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.429 |
| 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 | 3.200 |
| High resolution limit [Å] | 3.138 | 8.540 | 3.150 |
| Rmerge | 0.105 | 0.036 | 0.459 |
| Number of reflections | 12493 | ||
| <I/σ(I)> | 6.2 | ||
| Completeness [%] | 97.6 | 94.5 | 89.9 |
| Redundancy | 3 | 2.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 7.5 | 298 | 8% PEG 4000, pH 7.5, hanging drop, temperature 298K |
