7T93
Crystal Structure of Fumarate hydratase class II from Mycobacterium ulcerans in complex with L-Malate
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 | 2021-09-23 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 98.040, 120.820, 158.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.480 - 1.650 |
R-factor | 0.1378 |
Rwork | 0.138 |
R-free | 0.16070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qbp |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX (1.20-4438) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.480 | 48.480 | 1.690 |
High resolution limit [Å] | 1.650 | 7.380 | 1.650 |
Rmerge | 0.109 | 0.045 | 0.553 |
Rmeas | 0.118 | 0.050 | 0.602 |
Total number of observations | 1402855 | ||
Number of reflections | 225586 | 2737 | 16540 |
<I/σ(I)> | 11.91 | 28.24 | 3.25 |
Completeness [%] | 99.9 | 98.8 | 99.6 |
Redundancy | 6.219 | 5.713 | 6.203 |
CC(1/2) | 0.998 | 0.998 | 0.898 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 287 | [Protein: MyulA.01507.a.A1.PW29760 25mg/mL] [Barcode: 321232f4] [Collection: aps21idf 9/23/21] [Crystallization conditions: Molecular Dimensions Morpheus sparse matrix screen, condition F4: 0.1M MES/Imidazole pH 6.5, 12.5%(w/v) PEG 1000, 12.5%(w/v) PEG 3350, 12.5%(v/v) MPD, 0.02M each of (D-glucose, D-mannose, D-galactose, L-fucose, D-xylose, N-acetyl-D-glusosamine)] [Cryo: Direct] |