2QJ8

Crystal structure of an aspartoacylase family protein (mlr6093) from mesorhizobium loti maff303099 at 2.00 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	2007-06-09
Detector	ADSC QUANTUM 4
Wavelength(s)	0.978662
Spacegroup name	P 21 21 21
Unit cell lengths	81.054, 86.140, 94.632
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.643 - 2.000
R-factor	0.209
Rwork	0.207
R-free	0.25400
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.786
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]	29.643	29.643	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.105	0.044	0.782
Total number of observations		2158	12285
Number of reflections	45402
<I/σ(I)>	11.5	13.4	1.7
Completeness [%]	99.8	95.9	98.7
Redundancy	4.6	3.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	NANODROP, 20.0% PEG 3350, 0.2M Potassium citrate, VAPOR DIFFUSION, SITTING DROP, temperature 277K