6TZU
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, N84A mutant with pyruvate bound in the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-06-23 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9795 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 84.930, 225.810, 200.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.204 - 1.800 |
R-factor | 0.1739 |
Rwork | 0.172 |
R-free | 0.20140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ly8 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.768 |
Data scaling software | XSCALE (3.25) |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_2398) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.204 | 49.204 | 1.910 |
High resolution limit [Å] | 1.800 | 5.000 | 1.800 |
Rmerge | 0.114 | 0.036 | 0.819 |
Rmeas | 0.123 | 0.039 | 0.883 |
Total number of observations | 1262447 | ||
Number of reflections | 177638 | 8663 | 28689 |
<I/σ(I)> | 12.71 | 35.34 | 2.26 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 7.107 | 6.689 | 7.142 |
CC(1/2) | 0.998 | 0.999 | 0.796 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.4 | 288.15 | 0.1 M Magnesium acetate, 12 % PEG8000 0.1 M Sodium acetate (pH 7.4) |