1EEP
2.4 A RESOLUTION CRYSTAL STRUCTURE OF BORRELIA BURGDORFERI INOSINE 5'-MONPHOSPHATE DEHYDROGENASE IN COMPLEX WITH A SULFATE ION
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12B |
Synchrotron site | NSLS |
Beamline | X12B |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 1997-05-11 |
Detector | MARRESEARCH |
Spacegroup name | I 4 |
Unit cell lengths | 123.280, 123.280, 130.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.400 |
R-factor | 0.214 |
Rwork | 0.214 |
R-free | 0.26200 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.500 |
High resolution limit [Å] | 2.200 | 2.400 |
Rmerge | 0.131 | 0.343 |
Total number of observations | 255126 * | |
Number of reflections | 36820 | |
<I/σ(I)> | 14 | |
Completeness [%] | 99.6 | 98.6 * |
Redundancy | 6.8 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | Protein Solution: 0.16 mM protein, 0.5 M KCl, 50 mM Tris Cl (pH 7.5), 1 mM DTT, 10% glycerol, 1 mM IMP Well Solution: 2.2 M ammonium sulfate, PEG 550 MME, 0.1 M Tris Cl (pH 7.5), 10% glycerol, 0.01 mM beta-mercaptoethanol IMP does not bind in crystal due to excess ammonium sulfate. Crystallization is reproducible in the absence of IMP. , VAPOR DIFFUSION, HANGING DROP, temperature 25K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 0.16 (mM) | |
10 | 1 | reservoir | glycerol | 10 (%) | |
11 | 1 | reservoir | beta-mercaptoethanol | 0.01 (mM) | |
2 | 1 | drop | 0.5 (M) | ||
3 | 1 | drop | Tris-HCl | 50 (mM) | |
4 | 1 | drop | dithiothreitol | 1 (mM) | |
5 | 1 | drop | glycerol | 10 (%) | |
6 | 1 | drop | IMP | 1 (mM) | |
7 | 1 | reservoir | ammonium sulfate | 2.2 (M) | |
8 | 1 | reservoir | PEG550 MME | ||
9 | 1 | reservoir | Tris-HCl | 0.1 (M) |