2BWT

Asp260Ala 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	137.588, 137.588, 231.948
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.890 - 2.900
R-factor	0.171
Rwork	0.169
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bhc
RMSD bond length	0.008
RMSD bond angle	1.074
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.130	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.100	0.530
Number of reflections	22735
<I/σ(I)>	10.5	2
Completeness [%]	91.7	94.5
Redundancy	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	HANGING 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.