5MLY
Closed loop conformation of PhaZ7 Y105E mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-09 |
Detector | MARRESEARCH |
Wavelength(s) | 0.8123 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.410, 199.760, 43.960 |
Unit cell angles | 90.00, 114.17, 90.00 |
Refinement procedure
Resolution | 19.400 - 1.598 |
R-factor | 0.1295 |
Rwork | 0.128 |
R-free | 0.15660 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4brs |
RMSD bond length | 0.008 |
RMSD bond angle | 0.878 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.400 | 1.640 |
High resolution limit [Å] | 1.598 | 1.598 |
Rmerge | 0.140 | |
Number of reflections | 78330 | |
<I/σ(I)> | 25.8 | 4.8 |
Completeness [%] | 91.3 | 77.9 |
Redundancy | 1.8 | 1.7 |
CC(1/2) | 0.999 | 0.938 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 289 | 0.2 M NaCl, 0.1 M MES, 20% PEG6000 |