7NA0
Structure of Geobacter sulfurreducens proline utilization A (PutA) variant A206W
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 | CMOS |
Collection date | 2016-02-20 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 95.418, 151.382, 175.553 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.181 - 1.900 |
R-factor | 0.1703 |
Rwork | 0.169 |
R-free | 0.19860 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4nm9 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 58.520 | 58.520 | 1.930 |
High resolution limit [Å] | 1.900 | 10.410 | 1.900 |
Rmerge | 0.141 | 0.028 | 1.002 |
Rmeas | 0.152 | 0.031 | 1.088 |
Rpim | 0.057 | 0.012 | 0.421 |
Total number of observations | 9206 | 64876 | |
Number of reflections | 386519 | 1379 | 9787 |
<I/σ(I)> | 13.4 | 45.4 | 2 |
Completeness [%] | 100.0 | 99.2 | 100 |
Redundancy | 7.2 | 6.7 | 6.6 |
CC(1/2) | 0.997 | 0.999 | 0.762 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.05 M ammonium sulfate, 0.05 M BIS-TRIS pH 6.5, and 30% (v/v) pentaerythritol ethoxylate (15/4 EO/OH) |