3QZA
Joint neutron and X-ray structure of apo-D-Xylose Isomerase at pH=5.9
Experimental procedure
Experimental method | TOF LAUE |
Source type | NUCLEAR REACTOR |
Source details | LANSCE BEAMLINE PCS |
Synchrotron site | LANSCE |
Beamline | PCS |
Temperature [K] | 293 |
Detector technology | AREA DETECTOR |
Collection date | 2010-09-15 |
Detector | position sensitive He3 |
Wavelength(s) | 0.6-7.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 93.908, 99.503, 102.971 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.254 |
Rwork | 0.254 |
R-free | 0.28000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gub |
RMSD bond length | 0.007 |
RMSD bond angle | 1.000 |
Data reduction software | d*TREK ((X-ray)) |
Data scaling software | d*TREK |
Refinement software | nCNS (1.0.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.460 | 2.110 | 1.760 |
High resolution limit [Å] | 2.000 | 2.000 | 1.700 |
Rmerge | 0.225 | 0.385 | 0.315 |
Number of reflections | 28290 | ||
<I/σ(I)> | 4.5 | 1.3 | 2.6 |
Completeness [%] | 86.9 | 71.5 | 96.5 |
Redundancy | 3 | 1.7 | 2.88 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 5.9 | 280 | crystals grew with ammonium sulfate as a precipitant at pH of 5.9, batch crystallization, temperature 280K |
1 | BATCH MODE | 5.9 | 280 | crystals grew with ammonium sulfate as a precipitant at pH of 5.9, batch crystallization, temperature 280K |