5M1Y
The case of 1lkr held at the PDB and its variable amino acid occupancies; re refinement of 4ow9 to correct this
Replaces: 4OW9Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER IMUS MICROFOCUS |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-16 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 27.251, 62.537, 58.981 |
| Unit cell angles | 90.00, 90.92, 90.00 |
Refinement procedure
| Resolution | 31.000 - 1.904 |
| R-factor | 0.2182 |
| Rwork | 0.216 |
| R-free | 0.26210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ow9 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.719 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | PROTEUM PLUS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.130 | 0.229 |
| Number of reflections | 11097 | |
| <I/σ(I)> | 16.7 | 2 |
| Completeness [%] | 71.0 | 21 |
| Redundancy | 6.9 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 4.7 | 293 | CRYSTALLIZATION CONDITIONS: 20MG HEWL CO-CRYSTALLISED WITH 1.2MG CISPLATIN WITH 75UL DMSO, 462.5UL 0.1M NAAC AND 462.5UL 1M NAI SOLUTION |
