1UFV
Crystal Structure Of Pantothenate Synthetase From Thermus Thermophilus HB8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-02-02 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 88.558, 88.558, 266.974 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 2.050 |
Rwork | 0.201 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1n2e |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS (1.1) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.088 | 0.559 |
Number of reflections | 602601 | |
<I/σ(I)> | 13 | 7.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 15 | 16.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8 | 295 | PEG4000, TRIS, lithium cloride, pH 8, MICROBATCH, temperature 295K |