5D8N

Tomato leucine aminopeptidase mutant - K354E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-05-04
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.541
Spacegroup name	C 2 2 21
Unit cell lengths	127.112, 165.193, 168.275
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.150
R-factor	0.1535
Rwork	0.153
R-free	0.17890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ksi
RMSD bond length	0.007
RMSD bond angle	1.329
Data reduction software	xia2 (0.3.6.3)
Data scaling software	xia2 (0.3.6.3)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.920	33.920	2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.108	0.026	0.656
Rpim	0.043	0.011	0.264
Total number of observations	702109	7965	50224
Number of reflections	96081
<I/σ(I)>	15	44.6	3
Completeness [%]	100.0	98	100
Redundancy	7.3	6.8	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 M sodium cacodylate, pH 6.5, 0.35 M magnesium acetate, 10% PEG 8000