6P9V
Crystal Structure of hMAT Mutant K289L
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-12-06 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9787 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 66.348, 94.624, 116.573 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.740 - 2.051 |
R-factor | 0.1741 |
Rwork | 0.173 |
R-free | 0.20290 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2p02 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.642 |
Data reduction software | XDS (VERSION Jun 1, 2017 BUILT=20170923) |
Data scaling software | XDS (VERSION Jun 1, 2017 BUILT=20170923) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.742 | 39.742 | 2.139 |
High resolution limit [Å] | 2.051 | 6.423 | 2.051 |
Rmerge | 0.194 | 0.047 | 1.861 |
Rmeas | 0.207 | 0.051 | 1.988 |
Rpim | 0.018 | 0.683 | |
Total number of observations | 146211 | ||
Number of reflections | 16840 | 841 | 842 |
<I/σ(I)> | 9.29 | 30.746 | 1.18 |
Completeness [%] | 72.0 | ||
Redundancy | 8.68 | 7.46 | 7.94 |
CC(1/2) | 0.996 | 0.997 | 0.302 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2M KCl, 0.05M HEPES, 35% (v/v) Pentaeythritol propoxylate (5/4 PO/OH), PROTEIN BUFFER ADDITIVES: 0.002M ADP, 0.005M magnesium chloride, 0.010M metol -- [(S)-(-)-methioninol] |