8RP4
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis (D156A mutant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-02-23 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 180.473, 78.745, 58.943 |
Unit cell angles | 90.00, 92.15, 90.00 |
Refinement procedure
Resolution | 90.173 - 1.640 |
Rwork | 0.179 |
R-free | 0.21080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 2.113 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 90.173 | 90.170 | 1.670 |
High resolution limit [Å] | 1.640 | 8.980 | 1.640 |
Rmerge | 0.093 | 0.023 | 2.090 |
Rmeas | 0.110 | 0.027 | 2.456 |
Rpim | 0.058 | 0.014 | 1.283 |
Number of reflections | 99692 | 654 | 4868 |
<I/σ(I)> | 9.9 | ||
Completeness [%] | 99.0 | ||
Redundancy | 6.9 | 6.8 | 7.1 |
CC(1/2) | 0.998 | 1.000 | 0.372 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295.15 | 0.03 M magnesium chloride hexahydrate, 0.03 M calcium chloride dihydrate, 20 % (v/v) ethylene glycol, 10 % (w/v) PEG 8000, 0.1 M sodium HEPES-MOPS, |