8B2G
SH3-like domain from Penicillium virgatum muramidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.28249 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.142, 59.824, 36.109 |
Unit cell angles | 90.00, 112.13, 90.00 |
Refinement procedure
Resolution | 33.479 - 1.500 |
Rwork | 0.163 |
R-free | 0.17250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8b2s |
RMSD bond length | 0.013 |
RMSD bond angle | 1.795 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.820 | 59.820 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.082 | 0.046 | 0.967 |
Rmeas | 0.108 | 0.061 | 1.282 |
Rpim | 0.069 | 0.040 | 0.835 |
Number of reflections | 21381 | 155 | 731 |
<I/σ(I)> | 7.4 | 18.3 | 1 |
Completeness [%] | 93.8 | 98.9 | 66.8 |
Redundancy | 4 | 3.8 | 3.2 |
CC(1/2) | 0.995 | 0.995 | 0.261 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PACT C9=0.2 M LiCl, 0.1 M Hepes pH 7.0, 20% PEG 6K, MMS (microseed matrix screening) from JCSG, C7=0.2 M zinc acetate dehydrate, 0.1 M sodium acetate, 10%w/v PEG 3000 |