8TN2
Structure of S. hygroscopicus aminotransferase MppQ complexed with pyridoxal-5'-phosphate (PLP)
Replaces: 7UKXExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.730, 114.500, 133.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.100 - 1.750 |
R-factor | 0.1452 |
Rwork | 0.144 |
R-free | 0.17020 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.843 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.430 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.120 | 0.729 |
Rmeas | 0.132 | 0.806 |
Rpim | 0.054 | 0.336 |
Total number of observations | 405573 | 20157 |
Number of reflections | 73140 | 3800 |
<I/σ(I)> | 10.1 | 2.3 |
Completeness [%] | 98.3 | |
Redundancy | 5.5 | 5.3 |
CC(1/2) | 0.995 | 0.743 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 15-25 % PEG 3350, and 0.1-0.2 M ammonium citrate trihydrate, trilithium citrate, or ammonium sulfate |