3B9T

Crystal structure of predicted acetamidase/formamidase (YP_546212.1) from Methylobacillus flagellatus KT at 1.58 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97960
Spacegroup name	P 1
Unit cell lengths	62.165, 82.723, 83.576
Unit cell angles	107.82, 105.81, 95.18

Refinement procedure

Resolution	29.814 - 1.580
R-factor	0.14
Rwork	0.138
R-free	0.17700
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.508
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]	29.814	29.814	1.620
High resolution limit [Å]	1.580	7.070	1.580
Rmerge	0.090	0.074	0.459
Total number of observations		4436	27870
Number of reflections	196551
<I/σ(I)>	7.2	8.4	1.6
Completeness [%]	95.8	97.8	94.2
Redundancy	1.9	2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	NANODROP, 1.0M LiCl, 20.0% PEG 6000, 0.1M MES pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K