4BKE
Recombinant human serum albumin with palmitic acid. Synthetic cationic antimicrobial peptides bind with their hydrophobic parts to drug site II of human serum albumin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 295 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU R-AXIS IV |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 189.366, 39.003, 96.296 |
Unit cell angles | 90.00, 105.48, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.350 |
R-factor | 0.20167 |
Rwork | 0.198 |
R-free | 0.25434 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e7h |
RMSD bond length | 0.009 |
RMSD bond angle | 1.125 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.140 | 2.480 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.070 | 0.660 |
Number of reflections | 27926 | |
<I/σ(I)> | 9.3 | 2.2 |
Completeness [%] | 96.5 | 95.2 |
Redundancy | 5 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.2 | 26 % PEG 3350, 50 MM KH2PO4 PH 7.2; 120 MG/ML IN 20 MM KH2PO4 AT PH 7.5 CONTAINING NOMINAL 0.1 MM PALMITIC ACID STREAK SEEDED SEEDING |