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