4B4E
1.00 A Structure of Lysozyme Crystallized with (R)-2-methyl-2,4- pentanediol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-23 |
Detector | ADSC CCD |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.530, 77.530, 37.895 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 13.300 - 1.000 |
R-factor | 0.12463 |
Rwork | 0.124 |
R-free | 0.14355 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | INHOUSE MODEL |
RMSD bond length | 0.008 |
RMSD bond angle | 1.306 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0087) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.020 |
High resolution limit [Å] | 1.000 | 1.000 |
Rmerge | 0.070 | 0.820 |
Number of reflections | 62397 | |
<I/σ(I)> | 43.3 | 2.51 |
Completeness [%] | 99.3 | 99 |
Redundancy | 13.7 | 11.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | CRYSTALLIZATION BY HANGING DROP AT 4C. CONDITIONS IN DROP: PROTEIN AT 35 MG/ML IN 200MM TRIS (PH 8.0) AND 60% V/V (R)-MPD. CONDITIONS IN RESERVOIR: 200MM TRIS (PH 8.0). |