5L6U
S. ENTERICA HISA MUTANT - D10G, DUP13-15, Q24L, G102A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-01-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97628 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 85.940, 85.940, 120.960 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 74.426 - 1.600 |
R-factor | 0.1567 |
Rwork | 0.155 |
R-free | 0.18900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5g1t |
RMSD bond length | 0.006 |
RMSD bond angle | 1.035 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.426 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.084 | 1.620 |
Number of reflections | 35410 | |
<I/σ(I)> | 37 | 2.77 |
Completeness [%] | 99.8 | 99.5 |
Redundancy | 38.4 | 39 |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 281 | 0.2M ammonium sulfate, 0.1M sodium acetate, pH4.8, 25% w/v PEG4000 |