4CJ2
Crystal structure of HEWL in complex with affitin H4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.889, 62.813, 87.099 |
Unit cell angles | 90.00, 98.75, 90.00 |
Refinement procedure
Resolution | 43.080 - 1.500 |
R-factor | 0.13879 |
Rwork | 0.137 |
R-free | 0.17811 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gwd |
RMSD bond length | 0.020 |
RMSD bond angle | 1.884 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.050 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.040 | 0.370 |
Number of reflections | 62347 | |
<I/σ(I)> | 17.1 | 3.2 |
Completeness [%] | 96.3 | 95 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |