2HU3
Parent Structure of Hen Egg White Lysozyme grown in acidic pH 4.8. Refinement for comparison with crosslinked molecules of lysozyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-15 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9737 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.870, 78.870, 36.788 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.730 - 1.300 |
R-factor | 0.105 |
Rwork | 0.103 |
R-free | 0.14500 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | In-house model |
RMSD bond length | 0.017 |
RMSD bond angle | 1.571 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.2) |
Refinement software | REFMAC (5.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.730 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.057 | 0.538 |
Number of reflections | 29161 | |
<I/σ(I)> | 10.5 | 3.92 |
Completeness [%] | 100.0 | 100 |
Redundancy | 27 | 15.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 0.1M Na Acetate, pH 4.8, 7% NaCl, 25% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |