8RMW
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis.
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 | 181.053, 79.090, 59.194 |
Unit cell angles | 90.00, 92.01, 90.00 |
Refinement procedure
Resolution | 90.471 - 1.650 |
Rwork | 0.194 |
R-free | 0.22510 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.712 |
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] | 90.471 | 90.470 | 1.680 |
High resolution limit [Å] | 1.650 | 9.040 | 1.650 |
Rmerge | 0.091 | 0.020 | 2.398 |
Rmeas | 0.108 | 0.023 | 2.828 |
Rpim | 0.057 | 0.012 | 1.488 |
Number of reflections | 100251 | 654 | 4908 |
<I/σ(I)> | 8.9 | ||
Completeness [%] | 100.0 | ||
Redundancy | 6.8 | 6.6 | 6.9 |
CC(1/2) | 0.999 | 1.000 | 0.320 |
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) |