6PHE
Crystal structure of Methylglyoxal synthase from Elizabethkingia anophelis NUHP1
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 | 2018-03-15 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 167.590, 167.590, 159.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.610 - 2.100 |
R-factor | 0.1481 |
Rwork | 0.147 |
R-free | 0.18410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vmd |
RMSD bond length | 0.007 |
RMSD bond angle | 0.873 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((dev_3500)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.610 | 48.610 | 2.150 |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.101 | 0.025 | 0.559 |
Rmeas | 0.107 | 0.026 | 0.588 |
Total number of observations | 1321165 | ||
Number of reflections | 132174 | 1627 | 9643 |
<I/σ(I)> | 19.3 | 52.24 | 4.5 |
Completeness [%] | 99.9 | 95.6 | 100 |
Redundancy | 9.996 | 8.693 | 10.042 |
CC(1/2) | 0.999 | 1.000 | 0.928 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | Rigaku Reagents JCSG+ screen, condition a11: 50% (V/V) MPD, 200mM ammonium phosphate monobasic, Tris base / HCl pH 8.5. ElanA.00692.a.B1.PS38386 at 18.2mg/ml: cryo: direct: tray: 2978372 a11: puck vsf3-5 |