2QE8
Crystal structure of a putative hydrolase (ava_4197) from anabaena variabilis atcc 29413 at 1.35 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL1-5 |
Synchrotron site | SSRL |
Beamline | BL1-5 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.980910 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 115.831, 135.562, 51.519 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.348 - 1.350 |
R-factor | 0.117 |
Rwork | 0.116 |
R-free | 0.14400 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.644 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.348 | 29.348 | 1.390 |
High resolution limit [Å] | 1.350 | 6.040 | 1.350 |
Rmerge | 0.052 | 0.035 | 0.346 |
Total number of observations | 14463 | 19621 | |
Number of reflections | 170743 | ||
<I/σ(I)> | 8.2 | 15.8 | 1.1 |
Completeness [%] | 95.9 | 96.8 | 73.9 |
Redundancy | 4.8 | 6.8 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 277 | NANODROP, 0.8M K2HPO4, 0.2M Li2SO4, 1.2M NaH2PO4, 0.1M CAPS pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
2 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | NANODROP, 1.6M (NH4)2SO4, 0.1M MES pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |