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 |