6FS1
MCL1 in complex with an indole acid ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-14 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.680, 64.519, 59.975 |
| Unit cell angles | 90.00, 98.82, 90.00 |
Refinement procedure
| Resolution | 29.500 - 1.600 |
| R-factor | 0.1995 |
| Rwork | 0.198 |
| R-free | 0.22630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.860 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5 PACIOREK) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.520 | 1.680 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 34104 | |
| <I/σ(I)> | 26 | 6.3 |
| Completeness [%] | 79.8 | 18.1 |
| Redundancy | 3.2 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 22% PEG MME 5K, 2% PEG 400, 0.1M MES pH 5.6 |
