4J5U
X-ray crystal structure of a serine hydroxymethyltransferase with covalently bound PLP from Rickettsia rickettsii str. Sheila Smith
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.28357 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.270, 113.280, 65.910 |
Unit cell angles | 90.00, 114.91, 90.00 |
Refinement procedure
Resolution | 19.625 - 1.700 |
R-factor | 0.1779 |
Rwork | 0.176 |
R-free | 0.21450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ecd |
RMSD bond length | 0.006 |
RMSD bond angle | 1.145 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev_1255) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.740 |
High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
Rmerge | 0.035 | 0.018 | 0.200 |
Number of reflections | 81184 | 785 | 5893 |
<I/σ(I)> | 25.37 | 57.55 | 5.42 |
Completeness [%] | 98.6 | 81.1 | 97.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.2 M Magnesium Chloride, 0.1 M MES:NaOH pH 6.5, 10% (w/v) PEG 4000, 22.4 mg/mL protein, VAPOR DIFFUSION, SITTING DROP, temperature 289K |