2BWW

His350Ala Escherichia coli Aminopeptidase P

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200H
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-06-06
Detector	MARRESEARCH
Spacegroup name	I 41 2 2
Unit cell lengths	138.170, 138.170, 231.296
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.670 - 2.610
R-factor	0.174
Rwork	0.172
R-free	0.20400
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]	74.540	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.110	0.590
Number of reflections	33663
<I/σ(I)>	14	2.4
Completeness [%]	97.2	86.6
Redundancy	5.4	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	SITTING DROP VAPOUR DIFFUSION AT 4C. 2 UL 7 MG/ML APPRO PLUS 2 UL RESERVOIR SOLUTION: 28% MPD, 0.1 M CITRATE PH 7.5, 0.2 M MGACETATE. SOAKED IN RESERVOIR SOLUTION SUPPLEMENTED WITH 1 MM MNCL2 FOR 30 MIN AT 4C PRIOR TO CRYOCOOLING.