7MWU
Structure of the E. coli PutA proline dehydrogenase domain (residues 86-630) complexed with cyclobutanecarboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-09 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 73.083, 141.818, 146.639 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 70.910 - 1.690 |
R-factor | 0.2086 |
Rwork | 0.207 |
R-free | 0.23410 |
Structure solution method | FOURIER SYNTHESIS |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14-3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 101.940 | 101.940 | 1.710 |
High resolution limit [Å] | 1.680 | 9.070 | 1.680 |
Rmerge | 0.076 | 0.025 | 2.843 |
Rmeas | 0.082 | 0.027 | 3.105 |
Rpim | 0.030 | 0.010 | 1.224 |
Total number of observations | 631755 | 4247 | 23468 |
Number of reflections | 85566 | 629 | 3890 |
<I/σ(I)> | 15 | 57.1 | 0.6 |
Completeness [%] | 99.4 | 99.7 | 88.8 |
Redundancy | 7.4 | 6.8 | 6 |
CC(1/2) | 0.998 | 0.999 | 0.333 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 18-28% PEG 3000, 100 mM sodium citrate, soaked crystals with 100 mM cyclobutanecarboxylic acid |