4NM9
Crystal structure of the resting state of proline utilization A (PutA) from Geobacter sulfurreducens PCA
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] | 100 |
Detector technology | PIXEL |
Collection date | 2012-11-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97910 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 95.246, 151.209, 175.126 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.052 - 1.898 |
R-factor | 0.1641 |
Rwork | 0.163 |
R-free | 0.19240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nmc |
RMSD bond length | 0.007 |
RMSD bond angle | 1.029 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.052 | 49.052 | 2.000 |
High resolution limit [Å] | 1.898 | 6.000 | 1.898 |
Rmerge | 0.023 | 0.536 | |
Total number of observations | 29249 | 129086 | |
Number of reflections | 197435 | ||
<I/σ(I)> | 13 | 27.5 | 1.4 |
Completeness [%] | 99.1 | 97.5 | 99.1 |
Redundancy | 4.6 | 4.5 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.5 | 298 | 25-28% PEG550 MME, 0.05-0.15 M Bis-Tris, pH 6.3-6.5, 0.05 M calcium chloride, MICROBATCH, temperature 298K |