3BDI
Crystal structure of predicted CIB-like hydrolase (NP_393672.1) from Thermoplasma acidophilum at 1.45 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-25 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.94939, 0.97939, 0.97953 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.384, 46.292, 101.644 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.338 - 1.450 |
R-factor | 0.164 |
Rwork | 0.163 |
R-free | 0.18900 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.622 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.338 | 27.338 | 1.490 |
High resolution limit [Å] | 1.450 | 6.480 | 1.450 |
Rmerge | 0.087 | 0.096 | 0.194 |
Total number of observations | 1474 | 6659 | |
Number of reflections | 37089 | ||
<I/σ(I)> | 3.1 | 4.6 | 3.5 |
Completeness [%] | 99.9 | 96.9 | 99.9 |
Redundancy | 3.5 | 3.1 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | NANODROP, 5.0% PEG 3000, 44.0% PEG 400, 0.1M MES pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |