4B7S
PikC D50N mutant bound to the 10-DML analog with the 3-(N,N- dimethylamino)propanoate anchoring group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2012-07-28 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.246, 92.023, 69.525 |
Unit cell angles | 90.00, 90.48, 90.00 |
Refinement procedure
Resolution | 61.240 - 1.840 |
R-factor | 0.16887 |
Rwork | 0.166 |
R-free | 0.22420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b7d |
RMSD bond length | 0.022 |
RMSD bond angle | 1.847 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.020 | 1.940 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.090 | 0.600 |
Number of reflections | 63160 | |
<I/σ(I)> | 8.3 | 1.5 |
Completeness [%] | 94.4 | 69.4 |
Redundancy | 3.9 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 2 M AMMONIUM SULFATE, 0.1 M BIS TRIS, PH 5.5 |