2XBR
Raman crystallography of Hen White Egg Lysozyme - Low X-ray dose (0.2 MGy)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-22 |
Detector | ADSC CCD |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.630, 78.630, 37.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.520 - 1.290 |
R-factor | 0.14326 |
Rwork | 0.141 |
R-free | 0.18637 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bwh |
RMSD bond length | 0.028 |
RMSD bond angle | 2.243 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.350 |
High resolution limit [Å] | 1.290 | 1.290 |
Rmerge | 0.040 | 0.290 |
Number of reflections | 29814 | |
<I/σ(I)> | 34.4 | 4.5 |
Completeness [%] | 98.8 | 92.7 |
Redundancy | 11.4 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 75 MM SODIUM ACETATE PH 4.6, 1.0 M SODIUM CHLORIDE |