8Z52
Hen Egg-White Lysozyme (HEWL) complexed with Theophylline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER X8 PROTEUM |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-14 |
Detector | Bruker PHOTON III |
Wavelength(s) | 1.5 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.378, 78.378, 36.904 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.740 - 1.480 |
R-factor | 0.1815 |
Rwork | 0.178 |
R-free | 0.20880 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.690 |
Data reduction software | PROTEUM PLUS |
Data scaling software | PROTEUM PLUS |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.159 | 1.540 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.093 | 0.811 |
Rmeas | 0.101 | 0.929 |
Rpim | 0.040 | 0.440 |
Number of reflections | 19519 | 3246 |
<I/σ(I)> | 11.5 | 1.8 |
Completeness [%] | 99.1 | 91.1 |
Redundancy | 6.3 | 4.5 |
CC(1/2) | 0.998 | 0.183 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.1M Na-acetate pH 4.5, 6.5% (w/v) NaCl |