3E2S
Crystal Structure Reduced PutA86-630 Mutant Y540S Complexed with L-proline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-18 |
Detector | NOIR-1 |
Wavelength(s) | 1.000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 73.062, 140.931, 145.338 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.671 - 2.000 |
R-factor | 0.215 |
Rwork | 0.214 |
R-free | 0.25100 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.043 |
Data scaling software | SCALA |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.756 | 27.660 | 2.110 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.076 | 0.036 | 0.367 |
Total number of observations | 7259 | 31254 | |
Number of reflections | 50978 | ||
<I/σ(I)> | 13.8 | 1.9 | |
Completeness [%] | 99.9 | 98.5 | 100 |
Redundancy | 4.4 | 4.2 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | 100 mM citrate buffer pH 5.8-6.0, 15-18 % PEG 3350, vapor diffusion, temperature 298K |