6N3S
Crystal structure of apo-cruzain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.830, 72.210, 79.820 |
| Unit cell angles | 90.00, 91.53, 90.00 |
Refinement procedure
| Resolution | 34.920 - 1.193 |
| R-factor | 0.1393 |
| Rwork | 0.138 |
| R-free | 0.16520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kku |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.991 |
| Data reduction software | MOSFLM (7.2.0) |
| Data scaling software | Aimless (1.10.26) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.110 | 1.210 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmerge | 0.075 | 0.470 |
| Rmeas | 0.088 | 0.560 |
| Rpim | 0.046 | 0.290 |
| Number of reflections | 115537 | 5760 |
| <I/σ(I)> | 8.6 | 2.5 |
| Completeness [%] | 97.9 | 97.9 |
| Redundancy | 3.2 | 3.3 |
| CC(1/2) | 0.990 | 0.640 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 1.26 M NaH2PO4.H2O 0.14 M K2HPO4 |
