4FUU

Crystal structure of a leucine aminopeptidase precursor (BT_2548) from Bacteroides thetaiotaomicron VPI-5482 at 1.30 A resolution

Experimental procedure

Experimental method	MAD
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	2011-10-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537,0.9796,0.9793
Spacegroup name	P 1
Unit cell lengths	40.236, 41.582, 48.528
Unit cell angles	65.47, 80.43, 78.68

Refinement procedure

Resolution	27.993 - 1.300
R-factor	0.12
Rwork	0.118
R-free	0.15660
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.356
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.993	27.993	1.330
High resolution limit [Å]	1.300	5.810	1.300
Rmerge		0.033	0.435
Total number of observations		1261	8984
Number of reflections	64313
<I/σ(I)>	7.1	20.4	1.9
Completeness [%]	93.6	85.3	91.3
Redundancy	1.9	1.9	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20.00% polyethylene glycol 3350, 0.200M ammonium dihydrogen phosphate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K