4H17
Crystal structure of an isochorismatase (PP1826) from Pseudomonas putida KT2440 at 1.60 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-31 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97925,0.97910 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.169, 49.348, 156.593 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.973 - 1.600 |
R-factor | 0.1367 |
Rwork | 0.136 |
R-free | 0.15640 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.600 |
Data reduction software | XDS |
Data scaling software | XSCALE (March 15, 2012) |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.973 | 28.970 | 1.640 |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmerge | 0.038 | 0.023 | 0.536 |
Rmeas | 0.027 | 0.624 | |
Number of reflections | 51103 | 650 | 3751 |
<I/σ(I)> | 19.7 | 62.9 | 2.4 |
Completeness [%] | 99.8 | ||
Redundancy | 3.81 | 3.35 | 3.83 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 0.200M (NH4)2SO4, 20.00% PEG-3350, No Buffer pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |