7S91
Structure of the malate racemase mar2 apoprotein from Thermoanaerobacterium thermosaccharolyticum at 2.25 angstroms resolution
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 | 2020-09-15 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.97872 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 72.460, 100.450, 132.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.380 - 2.250 |
R-factor | 0.2076 |
Rwork | 0.206 |
R-free | 0.23950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6d6z |
RMSD bond length | 0.008 |
RMSD bond angle | 1.035 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2-3874-000) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.380 | 2.370 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.114 | 0.844 |
Rmeas | 0.131 | |
Rpim | 0.063 | 0.475 |
Number of reflections | 23233 | 3344 |
<I/σ(I)> | 7.3 | 1.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4 | 4.1 |
CC(1/2) | 0.994 | 0.549 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 294 | 100 mM HEPES (pH 8.0), 200 mM NaCl, 30% PEG 3350. The crystal was cryo protected in a solution containing 100 mM HEPES (pH 8.0), 200 mM NaCl, and 35% PEG 3350 |