6C1K
HypoPP mutant with ligand1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-09-26 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.99994 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 126.394, 126.235, 191.525 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.310 - 2.700 |
R-factor | 0.2116 |
Rwork | 0.210 |
R-free | 0.24590 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.215 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AutoSol |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.310 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 41173 | |
<I/σ(I)> | 18.5 | |
Completeness [%] | 99.6 | |
Redundancy | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 277 | ammonium sulphate, Na-citrate |