4DDC
EVAL processed HEWL, cisplatin DMSO NAG silicone oil
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-25 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.949, 79.089, 36.984 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.170 - 1.800 |
R-factor | 0.22097 |
Rwork | 0.219 |
R-free | 0.25296 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w1y |
RMSD bond length | 0.018 |
RMSD bond angle | 1.805 |
Data reduction software | EVAL15 (15) |
Data scaling software | EVAL15 (15) |
Phasing software | PHASER (MR) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.089 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.079 | 0.213 |
Number of reflections | 21843 | |
<I/σ(I)> | 22.9 | 4.2 |
Completeness [%] | 94.6 | 95.2 |
Redundancy | 15.1 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH | 4.7 | 277 | HEWL co-crystallized with cisplatin and N-acetylglucosamine in 462.5 uL 0.05 M sodium acetate and 462.5 uL 10% sodium chloride in 75 uL DMSO, pH 4.7, BATCH, temperature 277K |