4NMB
Crystal structure of proline utilization A (PutA) from Geobacter sulfurreducens PCA in complex with L-lactate
Replaces: 4F9IExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 95.648, 152.063, 175.133 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 114.821 - 2.198 |
R-factor | 0.1819 |
Rwork | 0.180 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nmc |
RMSD bond length | 0.008 |
RMSD bond angle | 1.047 |
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] | 114.821 | 175.133 | 2.320 |
High resolution limit [Å] | 2.198 | 6.950 | 2.198 |
Rmerge | 0.023 | 0.716 | |
Total number of observations | 18477 | 70119 | |
Number of reflections | 129595 | ||
<I/σ(I)> | 13 | 24.7 | 0.9 |
Completeness [%] | 99.5 | 99 | 97 |
Redundancy | 4.3 | 4.2 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 298 | 23% PEG400, 0.1 M MES, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 298K |