3B6L
Crystal structure of lysozyme folded in SDS and 2-methyl-2,4-pentanediol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-23 |
Detector | BRUKER PROTEUM |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.595, 77.595, 37.567 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.700 - 2.300 |
R-factor | 0.20236 |
Rwork | 0.202 |
R-free | 0.21400 |
Structure solution method | AB INITIO |
Starting model (for MR) | 1z55 |
RMSD bond length | 0.028 |
RMSD bond angle | 1.781 |
Data reduction software | PROTEUM PLUS (PLUS) |
Data scaling software | PROTEUM PLUS (PLUS) |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.700 | |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.082 | 0.022 |
Number of reflections | 5468 | |
<I/σ(I)> | 21.9 | 8.5 |
Completeness [%] | 99.7 | 100 |
Redundancy | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 300 | 100mM sodium acetate buffer pH 4.6 and 2M sodium formate, VAPOR DIFFUSION, HANGING DROP, temperature 300K |