6ICO
Pseudomonas putida CBB5 NdmA with theophylline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-26 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 135.881, 135.881, 155.610 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.036 - 1.850 |
R-factor | 0.1747 |
Rwork | 0.174 |
R-free | 0.20330 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.015 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.912 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmeas | 0.108 | |
Number of reflections | 142295 | |
<I/σ(I)> | 34.5 | |
Completeness [%] | 100.0 | |
Redundancy | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M ammonium citrate/citric acid pH 7.5, 15% w/v PEG 3350, 20% v/v 2-propanol |