2BWU

Asp271Ala Escherichia coli Aminopeptidase P

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-03
Detector	MARRESEARCH
Spacegroup name	I 41 2 2
Unit cell lengths	138.589, 138.589, 232.056
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.650 - 2.200
R-factor	0.171
Rwork	0.170
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bhc
RMSD bond length	0.010
RMSD bond angle	1.181
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.580	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.060	0.550
Number of reflections	56922
<I/σ(I)>	13.6	1.8
Completeness [%]	99.4	100
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	SITTING DROP VAPOUR DIFFUSION AT 4C. 2 UL 10 MG/ML APPRO PLUS 2 UL RESERVOIR SOLUTION: 30% MPD, 0.1 M CITRATE PH 7.5, 0.2 M MGACETATE. SOAKED IN RESERVOIR SOLUTION SUPPLEMENTED WITH AND 1 MM MNCL2 FOR 1 HR AT 4C PRIOR TO CRYOCOOLING.