4JNZ
Crystal structure of PutA86-630 mutant D370N complexed with L-Tetrahydro-2-furoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 173 |
Detector technology | CCD |
Collection date | 2008-11-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97949 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 72.797, 140.549, 146.951 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.640 - 1.851 |
R-factor | 0.194 |
Rwork | 0.192 |
R-free | 0.22450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e2r |
RMSD bond length | 0.007 |
RMSD bond angle | 1.079 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
Rmerge | 0.059 | 0.026 | 0.417 |
Number of reflections | 64199 | ||
<I/σ(I)> | 10.3 | ||
Completeness [%] | 99.9 | 98.7 | 100 |
Redundancy | 7.3 | 7.2 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 293 | 11 - 26 % (w/v) PEG 3350 and 0.1 M sodium citrate buffer, pH 5.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |