3NRA
Crystal structure of an aspartate aminotransferase (YP_354942.1) from Rhodobacter sphaeroides 2.4.1 at 2.15 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-08 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97947 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.291, 98.517, 127.883 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.775 - 2.150 |
R-factor | 0.156 |
Rwork | 0.153 |
R-free | 0.20000 |
Structure solution method | MAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.154 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | SOLVE |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.775 | 29.775 | 2.210 |
High resolution limit [Å] | 2.150 | 9.620 | 2.150 |
Rmerge | 0.049 | 0.631 | |
Rmeas | 0.058 | 0.723 | |
Rpim | 0.031 | 0.349 | |
Total number of observations | 2110 | 14304 | |
Number of reflections | 47045 | ||
<I/σ(I)> | 7.2 | 15.5 | 2.2 |
Completeness [%] | 100.0 | 96.8 | 100 |
Redundancy | 4.1 | 3.6 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 1.0000M lithium chloride, 22.5000% polyethylene glycol 6000, 0.1M citric acid pH 5.0, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K |