4PHQ
ClyA CC6/264 ox (6-303)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-15 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 176.880, 48.440, 152.430 |
Unit cell angles | 90.00, 102.33, 90.00 |
Refinement procedure
Resolution | 38.540 - 1.940 |
R-factor | 0.1731 |
Rwork | 0.172 |
R-free | 0.21370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qoy |
RMSD bond length | 0.007 |
RMSD bond angle | 0.897 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.060 | |
High resolution limit [Å] | 1.940 | 5.760 | 1.940 |
Rmerge | 0.076 | 0.032 | 0.527 |
Rmeas | 0.084 | 0.035 | 0.579 |
Total number of observations | 511121 | ||
Number of reflections | 86049 | 3082 | 13824 |
<I/σ(I)> | 14.53 | 40.07 | 3.27 |
Completeness [%] | 91.4 | 80.9 | 90.3 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293 | 19% PEG 3350, 0.1 M Tris-Acetate |