4XET
Fe-Cl bound Y157F CDO at pH ~7.0 in the presence of azide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 57.600, 57.600, 122.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.907 - 1.300 |
R-factor | 0.1653 |
Rwork | 0.163 |
R-free | 0.18850 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4IEU with Cys removed |
RMSD bond length | 0.010 |
RMSD bond angle | 1.011 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX ((phenix.refine: 1.9_1692)) |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.000 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 47060 | |
<I/σ(I)> | 27.8 | 1.5 |
Completeness [%] | 91.0 | 52 |
Redundancy | 40.7 | 18 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | Purified enzyme was concentrated to ~8 mg/mL and then added into a crystallization screen containing 0.1 M tri-sodium citrate pH=5.6, 24-34% PEG 4K, and 0.1-0.25 M ammonium acetate. 1.5L of protein solution was added to each well and mixed with an equivalent volume of reservoir solution., pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |