6ZEP

Flavourzyme Leucine Aminopeptidase A proenzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	43.430, 94.390, 99.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.611 - 1.610
R-factor	0.1537
Rwork	0.153
R-free	0.17390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rtq
RMSD bond length	0.007
RMSD bond angle	0.930
Data reduction software	xia2
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.611	1.668
High resolution limit [Å]	1.610	1.610
Rmerge	0.073	0.891
Rmeas		0.083
Number of reflections	53338	5269
<I/σ(I)>	11.36	1.59
Completeness [%]	99.5
Redundancy	4.3
CC(1/2)		0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis-Tris, pH = 5.5, 0.2 M NaCl, 25% PEG 3,350