4KAF
Crystal Structure of Haloalkane dehalogenase HaloTag7 at the resolution 1.5A, Northeast Structural Genomics Consortium (NESG) Target OR151
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-05 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.930, 94.800, 100.502 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.399 - 1.496 |
R-factor | 0.1486 |
Rwork | 0.148 |
R-free | 0.16490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e46 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.364 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | PHENIX (dev_1269) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.496 |
Rmerge | 0.084 |
Number of reflections | 203311 |
<I/σ(I)> | 36.6 |
Completeness [%] | 99.2 |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 277 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: ammonium thiocynate, MES 0.1M, PEG 4000 20%, microbatch under oil, temperature 277K |