5UX5
Structure of Proline Utilization A (PutA) from Corynebacterium freiburgense
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 | 2015-06-26 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 |
Unit cell lengths | 84.959, 116.360, 140.734 |
Unit cell angles | 71.48, 89.68, 83.42 |
Refinement procedure
Resolution | 63.290 - 2.700 |
R-factor | 0.1854 |
Rwork | 0.183 |
R-free | 0.23590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qan |
RMSD bond length | 0.009 |
RMSD bond angle | 1.029 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.9) |
Phasing software | BALBES |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.295 | 63.290 | 2.750 |
High resolution limit [Å] | 2.700 | 14.790 | 2.700 |
Rmerge | 0.058 | 0.016 | 0.488 |
Rmeas | 0.082 | 0.023 | 0.689 |
Rpim | 0.058 | 0.016 | 0.485 |
Number of reflections | 137220 | ||
<I/σ(I)> | 8.3 | ||
Completeness [%] | 98.5 | 97.3 | 98 |
Redundancy | 1.9 | 2 | 1.9 |
CC(1/2) | 0.994 | 0.999 | 0.620 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 295 | The reservoir contained three volumes of solution A and one volume of solution B. Solution A:0.2 M magnesium chloride hexahydrate, 0.1 M Bis-tris pH 6.5, 25% w/v polyethylene glycol 3,350 Solution B: 0.1 M HEPES pH 7.5, 10% w/v polyethylene glycol 6,000, 5% v/v (+/-)-2-Methyl-2, 4-pentanediol |